******************************************************************************* ** Site#: 28262 E-mail support: MrMOPAC@ATT.net Version 17.277W 64BITS ** ******************************************************************************* ** Cite this program as: MOPAC2016, Version: 17.277W, James J. P. Stewart, ** ** Stewart Computational Chemistry, web-site: HTTP://OpenMOPAC.net. ** ******************************************************************************* ** ** ** MOPAC2016 ** ** ** ******************************************************************************* PM7 CALCULATION RESULTS ******************************************************************************* * CALCULATION DONE: Wed Oct 04 17:13:59 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 2499 C6 8OG A1157" - "HETATM 2501 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 2508 OP1 8OG A1157) 2 N 368 (ATOM 368 NZ LYS A 24) +1 (2.7 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 (2.7 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 2500 O6 8OG A1157) -1 (7.3 Angstroms from cation C 464, Label: ATOM 464 CZ ARG A 31) 9 O 2508 (HETATM 2508 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: 284.883 TIME LEFT: 2.00W GRAD.: 12.750 HEAT: -24491.92 CYCLE: 2 TIME: 105.004 TIME LEFT: 2.00W GRAD.: 12.543 HEAT: -24491.93 CYCLE: 3 TIME: 102.695 TIME LEFT: 2.00W GRAD.: 12.644 HEAT: -24492.03 CYCLE: 4 TIME: 106.547 TIME LEFT: 2.00W GRAD.: 12.651 HEAT: -24491.92 CYCLE: 5 TIME: 99.980 TIME LEFT: 2.00W GRAD.: 12.662 HEAT: -24492.02 CYCLE: 6 TIME: 92.840 TIME LEFT: 2.00W GRAD.: 17.036 HEAT: -24492.33 CYCLE: 7 TIME: 101.207 TIME LEFT: 2.00W GRAD.: 32.176 HEAT: -24492.65 CYCLE: 8 TIME: 101.543 TIME LEFT: 2.00W GRAD.: 29.107 HEAT: -24493.08 CYCLE: 9 TIME: 108.465 TIME LEFT: 2.00W GRAD.: 20.601 HEAT: -24493.13 CYCLE: 10 TIME: 103.023 TIME LEFT: 2.00W GRAD.: 27.578 HEAT: -24493.89 CYCLE: 11 TIME: 93.039 TIME LEFT: 2.00W GRAD.: 34.386 HEAT: -24494.04 CYCLE: 12 TIME: 97.234 TIME LEFT: 2.00W GRAD.: 19.129 HEAT: -24494.24 CYCLE: 13 TIME: 103.801 TIME LEFT: 2.00W GRAD.: 17.116 HEAT: -24494.57 CYCLE: 14 TIME: 117.801 TIME LEFT: 2.00W GRAD.: 17.494 HEAT: -24494.77 CYCLE: 15 TIME: 105.180 TIME LEFT: 2.00W GRAD.: 23.735 HEAT: -24494.95 CYCLE: 16 TIME: 117.594 TIME LEFT: 2.00W GRAD.: 43.707 HEAT: -24495.25 CYCLE: 17 TIME: 100.926 TIME LEFT: 2.00W GRAD.: 16.181 HEAT: -24495.52 CYCLE: 18 TIME: 112.320 TIME LEFT: 2.00W GRAD.: 14.865 HEAT: -24495.69 CYCLE: 19 TIME: 116.906 TIME LEFT: 2.00W GRAD.: 16.380 HEAT: -24495.82 CYCLE: 20 TIME: 110.855 TIME LEFT: 2.00W GRAD.: 32.814 HEAT: -24496.13 CYCLE: 21 TIME: 107.984 TIME LEFT: 2.00W GRAD.: 20.055 HEAT: -24496.35 CYCLE: 22 TIME: 111.258 TIME LEFT: 2.00W GRAD.: 12.991 HEAT: -24496.48 CYCLE: 23 TIME: 97.113 TIME LEFT: 2.00W GRAD.: 18.726 HEAT: -24496.53 CYCLE: 24 TIME: 100.664 TIME LEFT: 2.00W GRAD.: 16.698 HEAT: -24496.65 CYCLE: 25 TIME: 95.113 TIME LEFT: 2.00W GRAD.: 18.978 HEAT: -24496.81 CYCLE: 26 TIME: 90.262 TIME LEFT: 2.00W GRAD.: 17.222 HEAT: -24497.06 CYCLE: 27 TIME: 103.461 TIME LEFT: 2.00W GRAD.: 12.525 HEAT: -24497.12 CYCLE: 28 TIME: 96.176 TIME LEFT: 1.99W GRAD.: 14.335 HEAT: -24497.29 CYCLE: 29 TIME: 101.914 TIME LEFT: 1.99W GRAD.: 24.109 HEAT: -24497.47 CYCLE: 30 TIME: 96.906 TIME LEFT: 1.99W GRAD.: 21.244 HEAT: -24497.57 CYCLE: 31 TIME: 92.461 TIME LEFT: 1.99W GRAD.: 12.306 HEAT: -24497.80 CYCLE: 32 TIME: 100.980 TIME LEFT: 1.99W GRAD.: 11.659 HEAT: -24497.92 CYCLE: 33 TIME: 100.383 TIME LEFT: 1.99W GRAD.: 13.389 HEAT: -24497.85 CYCLE: 34 TIME: 102.820 TIME LEFT: 1.99W GRAD.: 13.159 HEAT: -24497.90 CYCLE: 35 TIME: 96.117 TIME LEFT: 1.99W GRAD.: 11.847 HEAT: -24498.01 CYCLE: 36 TIME: 92.023 TIME LEFT: 1.99W GRAD.: 8.866 HEAT: -24498.08 CYCLE: 37 TIME: 99.289 TIME LEFT: 1.99W GRAD.: 77.031 HEAT: -24498.18 CYCLE: 38 TIME: 99.172 TIME LEFT: 1.99W GRAD.: 25.133 HEAT: -24498.30 CYCLE: 39 TIME: 101.664 TIME LEFT: 1.99W GRAD.: 8.301 HEAT: -24498.24 CYCLE: 40 TIME: 97.656 TIME LEFT: 1.99W GRAD.: 7.892 HEAT: -24498.25 CYCLE: 41 TIME: 92.227 TIME LEFT: 1.99W GRAD.: 18.025 HEAT: -24498.33 CYCLE: 42 TIME: 102.336 TIME LEFT: 1.99W GRAD.: 10.921 HEAT: -24498.42 CYCLE: 43 TIME: 100.531 TIME LEFT: 1.99W GRAD.: 9.859 HEAT: -24498.47 CYCLE: 44 TIME: 102.164 TIME LEFT: 1.99W GRAD.: 9.904 HEAT: -24498.65 CYCLE: 45 TIME: 97.281 TIME LEFT: 1.99W GRAD.: 14.448 HEAT: -24498.73 CYCLE: 46 TIME: 104.477 TIME LEFT: 1.99W GRAD.: 12.060 HEAT: -24498.76 CYCLE: 47 TIME: 103.016 TIME LEFT: 1.99W GRAD.: 12.171 HEAT: -24498.78 CYCLE: 48 TIME: 100.844 TIME LEFT: 1.99W GRAD.: 11.586 HEAT: -24498.76 CYCLE: 49 TIME: 102.523 TIME LEFT: 1.99W GRAD.: 80.296 HEAT: -24498.69 CYCLE: 50 TIME: 97.625 TIME LEFT: 1.99W GRAD.: 40.135 HEAT: -24498.86 CYCLE: 51 TIME: 90.883 TIME LEFT: 1.99W GRAD.: 45.273 HEAT: -24498.71 CYCLE: 52 TIME: 99.578 TIME LEFT: 1.99W GRAD.: 13.872 HEAT: -24498.78 CYCLE: 53 TIME: 98.711 TIME LEFT: 1.99W GRAD.: 9.551 HEAT: -24498.64 CYCLE: 54 TIME: 103.492 TIME LEFT: 1.99W GRAD.: 16.433 HEAT: -24498.68 CYCLE: 55 TIME: 98.391 TIME LEFT: 1.99W GRAD.: 34.969 HEAT: -24498.74 CYCLE: 56 TIME: 83.570 TIME LEFT: 1.99W GRAD.: 18.664 HEAT: -24498.71 CYCLE: 57 TIME: 100.148 TIME LEFT: 1.99W GRAD.: 8.069 HEAT: -24498.76 CYCLE: 58 TIME: 77.859 TIME LEFT: 1.99W GRAD.: 7.014 HEAT: -24498.73 CYCLE: 59 TIME: 90.328 TIME LEFT: 1.99W GRAD.: 11.512 HEAT: -24498.74 CYCLE: 60 TIME: 78.703 TIME LEFT: 1.99W GRAD.: 56.260 HEAT: -24498.60 CYCLE: 61 TIME: 81.039 TIME LEFT: 1.99W GRAD.: 10.824 HEAT: -24498.62 CYCLE: 62 TIME: 79.656 TIME LEFT: 1.99W GRAD.: 8.478 HEAT: -24498.62 CYCLE: 63 TIME: 83.258 TIME LEFT: 1.99W GRAD.: 9.334 HEAT: -24498.65 CYCLE: 64 TIME: 77.734 TIME LEFT: 1.99W GRAD.: 11.833 HEAT: -24498.67 CYCLE: 65 TIME: 82.867 TIME LEFT: 1.99W GRAD.: 9.503 HEAT: -24498.69 CYCLE: 66 TIME: 100.211 TIME LEFT: 1.99W GRAD.: 21.878 HEAT: -24498.73 CYCLE: 67 TIME: 103.227 TIME LEFT: 1.99W GRAD.: 49.996 HEAT: -24498.82 CYCLE: 68 TIME: 105.477 TIME LEFT: 1.99W GRAD.: 25.382 HEAT: -24498.76 CYCLE: 69 TIME: 102.961 TIME LEFT: 1.99W GRAD.: 38.291 HEAT: -24498.79 CYCLE: 70 TIME: 101.836 TIME LEFT: 1.99W GRAD.: 55.332 HEAT: -24498.78 RESTART FILE WRITTEN, TIME LEFT: 1.99W GRAD.: 60.678 HEAT: -24498.82 CYCLE: 72 TIME: 102.602 TIME LEFT: 1.99W GRAD.: 64.527 HEAT: -24498.73 CYCLE: 73 TIME: 94.680 TIME LEFT: 1.99W GRAD.: 13.821 HEAT: -24498.75 CYCLE: 74 TIME: 104.477 TIME LEFT: 1.99W GRAD.: 14.480 HEAT: -24498.74 CYCLE: 75 TIME: 99.898 TIME LEFT: 1.99W GRAD.: 63.423 HEAT: -24498.04 CYCLE: 76 TIME: 101.648 TIME LEFT: 1.99W GRAD.: 49.404 HEAT: -24498.36 CYCLE: 77 TIME: 98.422 TIME LEFT: 1.99W GRAD.: 12.349 HEAT: -24498.75 CYCLE: 78 TIME: 101.008 TIME LEFT: 1.99W GRAD.: 26.010 HEAT: -24498.76 CYCLE: 79 TIME: 101.297 TIME LEFT: 1.99W GRAD.: 53.884 HEAT: -24498.19 CYCLE: 80 TIME: 98.852 TIME LEFT: 1.99W GRAD.: 135.344 HEAT: -24495.58 CYCLE: 81 TIME: 102.898 TIME LEFT: 1.99W GRAD.: 97.422 HEAT: -24496.87 CYCLE: 82 TIME: 110.078 TIME LEFT: 1.99W GRAD.: 194.038 HEAT: -24492.09 CYCLE: 83 TIME: 117.984 TIME LEFT: 1.99W GRAD.: 61.045 HEAT: -24498.07 CYCLE: 84 TIME: 110.242 TIME LEFT: 1.99W GRAD.: 114.271 HEAT: -24496.16 CYCLE: 85 TIME: 118.547 TIME LEFT: 1.99W GRAD.: 62.450 HEAT: -24498.04 CYCLE: 86 TIME: 97.844 TIME LEFT: 1.99W GRAD.: 56.968 HEAT: -24498.72 CYCLE: 87 TIME: 111.430 TIME LEFT: 1.99W GRAD.: 89.712 HEAT: -24497.55 CYCLE: 88 TIME: 104.719 TIME LEFT: 1.99W GRAD.: 23.420 HEAT: -24498.69 CYCLE: 89 TIME: 99.266 TIME LEFT: 1.98W GRAD.: 17.431 HEAT: -24498.90 CYCLE: 90 TIME: 99.156 TIME LEFT: 1.98W GRAD.: 6.076 HEAT: -24498.97 CYCLE: 91 TIME: 97.828 TIME LEFT: 1.98W GRAD.: 9.338 HEAT: -24499.01 CYCLE: 92 TIME: 96.844 TIME LEFT: 1.98W GRAD.: 5.614 HEAT: -24499.03 CYCLE: 93 TIME: 97.984 TIME LEFT: 1.98W GRAD.: 6.501 HEAT: -24499.05 CYCLE: 94 TIME: 101.008 TIME LEFT: 1.98W GRAD.: 3.433 HEAT: -24499.06 CYCLE: 95 TIME: 99.641 TIME LEFT: 1.98W GRAD.: 5.160 HEAT: -24499.07 CYCLE: 96 TIME: 96.891 TIME LEFT: 1.98W GRAD.: 5.682 HEAT: -24499.11 CYCLE: 97 TIME: 88.812 TIME LEFT: 1.98W GRAD.: 4.423 HEAT: -24499.14 CYCLE: 98 TIME: 101.773 TIME LEFT: 1.98W GRAD.: 3.905 HEAT: -24499.16 CYCLE: 99 TIME: 103.430 TIME LEFT: 1.98W GRAD.: 15.765 HEAT: -24498.99 CYCLE: 100 TIME: 102.508 TIME LEFT: 1.98W GRAD.: 27.618 HEAT: -24498.95 CYCLE: 101 TIME: 95.734 TIME LEFT: 1.98W GRAD.: 9.116 HEAT: -24499.19 CYCLE: 102 TIME: 94.961 TIME LEFT: 1.98W GRAD.: 8.473 HEAT: -24499.22 CYCLE: 103 TIME: 89.102 TIME LEFT: 1.98W GRAD.: 6.169 HEAT: -24499.35 CYCLE: 104 TIME: 96.984 TIME LEFT: 1.98W GRAD.: 6.182 HEAT: -24499.40 CYCLE: 105 TIME: 98.859 TIME LEFT: 1.98W GRAD.: 7.665 HEAT: -24499.43 CYCLE: 106 TIME: 95.148 TIME LEFT: 1.98W GRAD.: 6.457 HEAT: -24499.41 CYCLE: 107 TIME: 94.594 TIME LEFT: 1.98W GRAD.: 5.811 HEAT: -24499.46 CYCLE: 108 TIME: 95.602 TIME LEFT: 1.98W GRAD.: 4.720 HEAT: -24499.52 CYCLE: 109 TIME: 99.352 TIME LEFT: 1.98W GRAD.: 4.146 HEAT: -24499.56 CYCLE: 110 TIME: 98.797 TIME LEFT: 1.98W GRAD.: 7.050 HEAT: -24499.27 CYCLE: 111 TIME: 76.844 TIME LEFT: 1.98W GRAD.: 5.479 HEAT: -24499.29 CYCLE: 112 TIME: 98.297 TIME LEFT: 1.98W GRAD.: 4.675 HEAT: -24499.53 CYCLE: 113 TIME: 100.672 TIME LEFT: 1.98W GRAD.: 4.890 HEAT: -24499.56 CYCLE: 114 TIME: 101.945 TIME LEFT: 1.98W GRAD.: 3.970 HEAT: -24499.53 CYCLE: 115 TIME: 101.898 TIME LEFT: 1.98W GRAD.: 37.144 HEAT: -24499.91 CYCLE: 116 TIME: 76.281 TIME LEFT: 1.98W GRAD.: 13.296 HEAT: -24499.65 CYCLE: 117 TIME: 97.641 TIME LEFT: 1.98W GRAD.: 4.062 HEAT: -24499.58 CYCLE: 118 TIME: 99.094 TIME LEFT: 1.98W GRAD.: 5.150 HEAT: -24499.67 CYCLE: 119 TIME: 77.281 TIME LEFT: 1.98W GRAD.: 7.690 HEAT: -24499.65 CYCLE: 120 TIME: 77.781 TIME LEFT: 1.98W GRAD.: 6.360 HEAT: -24499.67 CYCLE: 121 TIME: 80.578 TIME LEFT: 1.98W GRAD.: 15.258 HEAT: -24499.68 CYCLE: 122 TIME: 75.969 TIME LEFT: 1.98W GRAD.: 3.561 HEAT: -24499.67 CYCLE: 123 TIME: 80.383 TIME LEFT: 1.98W GRAD.: 3.716 HEAT: -24499.70 CYCLE: 124 TIME: 89.188 TIME LEFT: 1.98W GRAD.: 47.511 HEAT: -24499.68 CYCLE: 125 TIME: 78.500 TIME LEFT: 1.98W GRAD.: 9.278 HEAT: -24499.69 CYCLE: 126 TIME: 80.469 TIME LEFT: 1.98W GRAD.: 4.726 HEAT: -24499.70 CYCLE: 127 TIME: 76.422 TIME LEFT: 1.98W GRAD.: 5.000 HEAT: -24499.70 CYCLE: 128 TIME: 83.523 TIME LEFT: 1.98W GRAD.: 5.075 HEAT: -24499.66 CYCLE: 129 TIME: 79.172 TIME LEFT: 1.98W GRAD.: 8.201 HEAT: -24499.60 CYCLE: 130 TIME: 77.938 TIME LEFT: 1.98W GRAD.: 59.928 HEAT: -24499.59 CYCLE: 131 TIME: 81.047 TIME LEFT: 1.98W GRAD.: 24.822 HEAT: -24499.57 CYCLE: 132 TIME: 104.766 TIME LEFT: 1.98W GRAD.: 64.719 HEAT: -24499.59 CYCLE: 133 TIME: 79.891 TIME LEFT: 1.98W GRAD.: 35.925 HEAT: -24499.61 CYCLE: 134 TIME: 86.352 TIME LEFT: 1.98W GRAD.: 43.229 HEAT: -24499.65 CYCLE: 135 TIME: 96.734 TIME LEFT: 1.98W GRAD.: 71.190 HEAT: -24499.60 CYCLE: 136 TIME: 107.359 TIME LEFT: 1.98W GRAD.: 13.882 HEAT: -24499.64 CYCLE: 137 TIME: 98.703 TIME LEFT: 1.98W GRAD.: 13.116 HEAT: -24499.65 CYCLE: 138 TIME: 110.047 TIME LEFT: 1.98W GRAD.: 25.515 HEAT: -24499.67 CYCLE: 139 TIME: 107.094 TIME LEFT: 1.98W GRAD.: 20.429 HEAT: -24499.67 CYCLE: 140 TIME: 109.273 TIME LEFT: 1.98W GRAD.: 17.540 HEAT: -24499.64 CYCLE: 141 TIME: 95.859 TIME LEFT: 1.98W GRAD.: 6.977 HEAT: -24499.57 CYCLE: 142 TIME: 103.008 TIME LEFT: 1.98W GRAD.: 5.814 HEAT: -24499.57 CYCLE: 143 TIME: 82.547 TIME LEFT: 1.98W GRAD.: 65.278 HEAT: -24499.59 CYCLE: 144 TIME: 105.891 TIME LEFT: 1.98W GRAD.: 34.092 HEAT: -24499.87 CYCLE: 145 TIME: 120.422 TIME LEFT: 1.98W GRAD.: 58.432 HEAT: -24499.66 RESTART FILE WRITTEN, TIME LEFT: 1.98W GRAD.: 16.429 HEAT: -24499.64 CYCLE: 147 TIME: 96.758 TIME LEFT: 1.98W GRAD.: 35.201 HEAT: -24499.58 CYCLE: 148 TIME: 106.094 TIME LEFT: 1.98W GRAD.: 29.767 HEAT: -24499.91 CYCLE: 149 TIME: 102.023 TIME LEFT: 1.98W GRAD.: 69.633 HEAT: -24499.59 CYCLE: 150 TIME: 105.867 TIME LEFT: 1.98W GRAD.: 26.757 HEAT: -24499.95 CYCLE: 151 TIME: 100.414 TIME LEFT: 1.98W GRAD.: 24.965 HEAT: -24499.94 CYCLE: 152 TIME: 95.680 TIME LEFT: 1.98W GRAD.: 21.255 HEAT: -24499.62 CYCLE: 153 TIME: 77.281 TIME LEFT: 1.97W GRAD.: 15.949 HEAT: -24499.69 CYCLE: 154 TIME: 75.422 TIME LEFT: 1.97W GRAD.: 15.895 HEAT: -24499.68 CYCLE: 155 TIME: 81.281 TIME LEFT: 1.97W GRAD.: 13.610 HEAT: -24499.72 CYCLE: 156 TIME: 78.156 TIME LEFT: 1.97W GRAD.: 9.014 HEAT: -24499.71 CYCLE: 157 TIME: 80.898 TIME LEFT: 1.97W GRAD.: 6.900 HEAT: -24499.74 CYCLE: 158 TIME: 76.719 TIME LEFT: 1.97W GRAD.: 5.498 HEAT: -24499.75 CYCLE: 159 TIME: 81.094 TIME LEFT: 1.97W GRAD.: 5.558 HEAT: -24499.74 CYCLE: 160 TIME: 76.703 TIME LEFT: 1.97W GRAD.: 6.951 HEAT: -24499.75 CYCLE: 161 TIME: 92.945 TIME LEFT: 1.97W GRAD.: 13.529 HEAT: -24499.91 CYCLE: 162 TIME: 81.273 TIME LEFT: 1.97W GRAD.: 4.541 HEAT: -24499.76 CYCLE: 163 TIME: 90.641 TIME LEFT: 1.97W GRAD.: 8.553 HEAT: -24499.91 CYCLE: 164 TIME: 100.805 TIME LEFT: 1.97W GRAD.: 5.425 HEAT: -24499.91 CYCLE: 165 TIME: 94.883 TIME LEFT: 1.97W GRAD.: 55.044 HEAT: -24499.98 CYCLE: 166 TIME: 92.758 TIME LEFT: 1.97W GRAD.: 53.565 HEAT: -24499.86 CYCLE: 167 TIME: 80.070 TIME LEFT: 1.97W GRAD.: 19.575 HEAT: -24499.72 CYCLE: 168 TIME: 78.844 TIME LEFT: 1.97W GRAD.: 7.747 HEAT: -24499.75 CYCLE: 169 TIME: 98.000 TIME LEFT: 1.97W GRAD.: 6.170 HEAT: -24499.92 CYCLE: 170 TIME: 103.648 TIME LEFT: 1.97W GRAD.: 20.636 HEAT: -24499.92 CYCLE: 171 TIME: 105.125 TIME LEFT: 1.97W GRAD.: 4.538 HEAT: -24499.92 CYCLE: 172 TIME: 101.016 TIME LEFT: 1.97W GRAD.: 5.191 HEAT: -24499.92 CYCLE: 173 TIME: 105.609 TIME LEFT: 1.97W GRAD.: 6.832 HEAT: -24499.94 CYCLE: 174 TIME: 104.484 TIME LEFT: 1.97W GRAD.: 6.499 HEAT: -24499.88 CYCLE: 175 TIME: 103.836 TIME LEFT: 1.97W GRAD.: 57.322 HEAT: -24499.89 CYCLE: 176 TIME: 106.469 TIME LEFT: 1.97W GRAD.: 6.571 HEAT: -24499.88 CYCLE: 177 TIME: 101.266 TIME LEFT: 1.97W GRAD.: 5.560 HEAT: -24499.86 CYCLE: 178 TIME: 105.250 TIME LEFT: 1.97W GRAD.: 6.545 HEAT: -24499.87 CYCLE: 179 TIME: 103.758 TIME LEFT: 1.97W GRAD.: 67.510 HEAT: -24499.89 CYCLE: 180 TIME: 104.117 TIME LEFT: 1.97W GRAD.: 46.510 HEAT: -24499.87 CYCLE: 181 TIME: 104.625 TIME LEFT: 1.97W GRAD.: 51.569 HEAT: -24499.88 CYCLE: 182 TIME: 100.172 TIME LEFT: 1.97W GRAD.: 12.544 HEAT: -24499.92 CYCLE: 183 TIME: 95.859 TIME LEFT: 1.97W GRAD.: 6.819 HEAT: -24499.91 CYCLE: 184 TIME: 103.195 TIME LEFT: 1.97W GRAD.: 10.995 HEAT: -24499.94 CYCLE: 185 TIME: 105.172 TIME LEFT: 1.97W GRAD.: 5.915 HEAT: -24499.96 CYCLE: 186 TIME: 95.953 TIME LEFT: 1.97W GRAD.: 23.261 HEAT: -24499.94 CYCLE: 187 TIME: 100.875 TIME LEFT: 1.97W GRAD.: 60.085 HEAT: -24499.83 CYCLE: 188 TIME: 81.711 TIME LEFT: 1.97W GRAD.: 38.678 HEAT: -24499.73 CYCLE: 189 TIME: 100.336 TIME LEFT: 1.97W GRAD.: 8.723 HEAT: -24499.83 CYCLE: 190 TIME: 96.039 TIME LEFT: 1.97W GRAD.: 52.580 HEAT: -24499.95 CYCLE: 191 TIME: 86.969 TIME LEFT: 1.97W GRAD.: 30.435 HEAT: -24499.76 CYCLE: 192 TIME: 91.305 TIME LEFT: 1.97W GRAD.: 18.805 HEAT: -24499.98 CYCLE: 193 TIME: 100.000 TIME LEFT: 1.97W GRAD.: 45.264 HEAT: -24499.85 CYCLE: 194 TIME: 100.570 TIME LEFT: 1.97W GRAD.: 35.993 HEAT: -24499.96 CYCLE: 195 TIME: 144.523 TIME LEFT: 1.97W GRAD.: 28.260 HEAT: -24499.71 CYCLE: 196 TIME: 100.102 TIME LEFT: 1.97W GRAD.: 38.196 HEAT: -24499.95 CYCLE: 197 TIME: 98.734 TIME LEFT: 1.97W GRAD.: 35.864 HEAT: -24499.49 CYCLE: 198 TIME: 91.445 TIME LEFT: 1.97W GRAD.: 17.901 HEAT: -24499.94 CYCLE: 199 TIME: 88.672 TIME LEFT: 1.97W GRAD.: 39.716 HEAT: -24499.84 CYCLE: 200 TIME: 117.141 TIME LEFT: 1.97W GRAD.: 8.247 HEAT: -24500.02 CYCLE: 201 TIME: 91.289 TIME LEFT: 1.97W GRAD.: 3.667 HEAT: -24500.03 CYCLE: 202 TIME: 99.391 TIME LEFT: 1.97W GRAD.: 6.025 HEAT: -24500.01 CYCLE: 203 TIME: 100.211 TIME LEFT: 1.97W GRAD.: 4.304 HEAT: -24500.02 CYCLE: 204 TIME: 87.625 TIME LEFT: 1.97W GRAD.: 5.038 HEAT: -24500.02 CYCLE: 205 TIME: 96.086 TIME LEFT: 1.97W GRAD.: 3.085 HEAT: -24500.02 CYCLE: 206 TIME: 100.758 TIME LEFT: 1.97W GRAD.: 2.881 HEAT: -24500.02 CYCLE: 207 TIME: 98.812 TIME LEFT: 1.97W GRAD.: 11.238 HEAT: -24500.06 CYCLE: 208 TIME: 100.414 TIME LEFT: 1.97W GRAD.: 10.520 HEAT: -24500.07 CYCLE: 209 TIME: 87.672 TIME LEFT: 1.97W GRAD.: 3.541 HEAT: -24500.01 CYCLE: 210 TIME: 96.812 TIME LEFT: 1.97W GRAD.: 4.234 HEAT: -24500.07 CYCLE: 211 TIME: 91.188 TIME LEFT: 1.97W 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GRAD.: 58.644 HEAT: -24499.26 CYCLE: 423 TIME: 99.539 TIME LEFT: 1.94W GRAD.: 20.998 HEAT: -24499.96 CYCLE: 424 TIME: 83.352 TIME LEFT: 1.93W GRAD.: 5.818 HEAT: -24500.08 CYCLE: 425 TIME: 79.203 TIME LEFT: 1.93W GRAD.: 7.698 HEAT: -24500.06 CYCLE: 426 TIME: 86.922 TIME LEFT: 1.93W GRAD.: 4.829 HEAT: -24500.07 CYCLE: 427 TIME: 67.086 TIME LEFT: 1.93W GRAD.: 6.697 HEAT: -24500.09 CYCLE: 428 TIME: 83.906 TIME LEFT: 1.93W GRAD.: 3.074 HEAT: -24500.08 CYCLE: 429 TIME: 70.625 TIME LEFT: 1.93W GRAD.: 2.735 HEAT: -24500.09 CYCLE: 430 TIME: 85.844 TIME LEFT: 1.93W GRAD.: 7.474 HEAT: -24500.10 CYCLE: 431 TIME: 67.727 TIME LEFT: 1.93W GRAD.: 5.040 HEAT: -24500.11 CYCLE: 432 TIME: 82.867 TIME LEFT: 1.93W GRAD.: 3.608 HEAT: -24500.11 CYCLE: 433 TIME: 69.570 TIME LEFT: 1.93W GRAD.: 6.762 HEAT: -24500.09 CYCLE: 434 TIME: 88.203 TIME LEFT: 1.93W GRAD.: 4.424 HEAT: -24500.10 CYCLE: 435 TIME: 67.312 TIME LEFT: 1.93W GRAD.: 6.861 HEAT: -24500.11 CYCLE: 436 TIME: 84.258 TIME LEFT: 1.93W GRAD.: 3.874 HEAT: -24500.11 CYCLE: 437 TIME: 69.750 TIME LEFT: 1.93W GRAD.: 7.158 HEAT: -24500.09 CYCLE: 438 TIME: 86.547 TIME LEFT: 1.93W GRAD.: 4.268 HEAT: -24500.11 CYCLE: 439 TIME: 66.734 TIME LEFT: 1.93W GRAD.: 6.809 HEAT: -24500.11 CYCLE: 440 TIME: 83.836 TIME LEFT: 1.93W GRAD.: 5.717 HEAT: -24500.12 CYCLE: 441 TIME: 68.547 TIME LEFT: 1.93W GRAD.: 8.944 HEAT: -24500.08 CYCLE: 442 TIME: 86.953 TIME LEFT: 1.93W GRAD.: 4.532 HEAT: -24500.11 CYCLE: 443 TIME: 67.180 TIME LEFT: 1.93W GRAD.: 8.580 HEAT: -24500.06 CYCLE: 444 TIME: 83.477 TIME LEFT: 1.93W GRAD.: 3.836 HEAT: -24500.12 CYCLE: 445 TIME: 83.562 TIME LEFT: 1.93W GRAD.: 6.617 HEAT: -24500.05 CYCLE: 446 TIME: 78.156 TIME LEFT: 1.93W GRAD.: 4.037 HEAT: -24500.07 CYCLE: 447 TIME: 71.422 TIME LEFT: 1.93W GRAD.: 8.772 HEAT: -24500.05 CYCLE: 448 TIME: 81.242 TIME LEFT: 1.93W GRAD.: 4.383 HEAT: -24500.08 CYCLE: 449 TIME: 66.844 TIME LEFT: 1.93W GRAD.: 7.666 HEAT: -24500.05 CYCLE: 450 TIME: 77.938 TIME LEFT: 1.93W GRAD.: 3.976 HEAT: -24500.07 CYCLE: 451 TIME: 83.695 TIME LEFT: 1.93W GRAD.: 9.133 HEAT: -24500.07 CYCLE: 452 TIME: 80.578 TIME LEFT: 1.93W GRAD.: 5.731 HEAT: -24500.08 CYCLE: 453 TIME: 88.453 TIME LEFT: 1.93W GRAD.: 6.658 HEAT: -24500.05 CYCLE: 454 TIME: 80.414 TIME LEFT: 1.93W GRAD.: 3.874 HEAT: -24500.07 CYCLE: 455 TIME: 79.953 TIME LEFT: 1.93W GRAD.: 20.542 HEAT: -24500.05 CYCLE: 456 TIME: 66.422 TIME LEFT: 1.93W GRAD.: 6.741 HEAT: -24500.08 CYCLE: 457 TIME: 78.781 TIME LEFT: 1.93W GRAD.: 8.257 HEAT: -24500.05 CYCLE: 458 TIME: 71.148 TIME LEFT: 1.93W GRAD.: 3.704 HEAT: -24500.07 CYCLE: 459 TIME: 81.219 TIME LEFT: 1.93W GRAD.: 10.771 HEAT: -24500.07 CYCLE: 460 TIME: 67.297 TIME LEFT: 1.93W GRAD.: 4.126 HEAT: -24500.08 CYCLE: 461 TIME: 79.422 TIME LEFT: 1.93W GRAD.: 5.566 HEAT: -24500.06 CYCLE: 462 TIME: 71.227 TIME LEFT: 1.93W GRAD.: 3.692 HEAT: -24500.08 CYCLE: 463 TIME: 78.797 TIME LEFT: 1.93W GRAD.: 88.697 HEAT: -24500.05 CYCLE: 464 TIME: 77.375 TIME LEFT: 1.93W GRAD.: 34.200 HEAT: -24499.89 CYCLE: 465 TIME: 82.180 TIME LEFT: 1.93W GRAD.: 18.470 HEAT: -24500.07 CYCLE: 466 TIME: 78.344 TIME LEFT: 1.93W GRAD.: 8.672 HEAT: -24500.03 CYCLE: 467 TIME: 82.352 TIME LEFT: 1.93W GRAD.: 34.129 HEAT: -24499.99 CYCLE: 468 TIME: 76.430 TIME LEFT: 1.93W GRAD.: 8.866 HEAT: -24500.06 CYCLE: 469 TIME: 82.648 TIME LEFT: 1.93W GRAD.: 17.124 HEAT: -24499.97 CYCLE: 470 TIME: 85.219 TIME LEFT: 1.93W GRAD.: 15.696 HEAT: -24500.01 CYCLE: 471 TIME: 79.016 TIME LEFT: 1.93W GRAD.: 9.945 HEAT: -24500.10 CYCLE: 472 TIME: 81.219 TIME LEFT: 1.93W GRAD.: 9.460 HEAT: -24500.10 CYCLE: 473 TIME: 72.117 TIME LEFT: 1.93W GRAD.: 4.084 HEAT: -24500.12 CYCLE: 474 TIME: 84.133 TIME LEFT: 1.93W GRAD.: 6.452 HEAT: -24500.10 CYCLE: 475 TIME: 67.219 TIME LEFT: 1.93W GRAD.: 3.919 HEAT: -24500.12 CYCLE: 476 TIME: 81.008 TIME LEFT: 1.93W GRAD.: 8.395 HEAT: -24500.06 RESTART FILE WRITTEN, TIME LEFT: 1.93W GRAD.: 4.124 HEAT: -24500.08 CYCLE: 478 TIME: 85.211 TIME LEFT: 1.93W GRAD.: 6.671 HEAT: -24500.05 CYCLE: 479 TIME: 67.328 TIME LEFT: 1.93W GRAD.: 3.719 HEAT: -24500.07 CYCLE: 480 TIME: 80.328 TIME LEFT: 1.93W GRAD.: 7.544 HEAT: -24500.06 CYCLE: 481 TIME: 70.852 TIME LEFT: 1.93W GRAD.: 4.570 HEAT: -24500.08 CYCLE: 482 TIME: 84.180 TIME LEFT: 1.93W GRAD.: 6.728 HEAT: -24500.05 CYCLE: 483 TIME: 66.922 TIME LEFT: 1.93W GRAD.: 3.761 HEAT: -24500.07 CYCLE: 484 TIME: 80.281 TIME LEFT: 1.93W GRAD.: 14.652 HEAT: -24500.05 CYCLE: 485 TIME: 71.367 TIME LEFT: 1.93W GRAD.: 7.132 HEAT: -24500.07 CYCLE: 486 TIME: 84.086 TIME LEFT: 1.93W GRAD.: 7.309 HEAT: -24500.05 CYCLE: 487 TIME: 67.109 TIME LEFT: 1.93W GRAD.: 3.600 HEAT: -24500.07 CYCLE: 488 TIME: 80.844 TIME LEFT: 1.93W GRAD.: 10.251 HEAT: -24500.06 CYCLE: 489 TIME: 70.570 TIME LEFT: 1.93W GRAD.: 6.134 HEAT: -24500.08 CYCLE: 490 TIME: 84.039 TIME LEFT: 1.93W GRAD.: 7.402 HEAT: -24500.05 CYCLE: 491 TIME: 67.000 TIME LEFT: 1.93W GRAD.: 3.977 HEAT: -24500.07 CYCLE: 492 TIME: 80.578 TIME LEFT: 1.93W GRAD.: 11.839 HEAT: -24500.06 CYCLE: 493 TIME: 71.461 TIME LEFT: 1.93W GRAD.: 6.189 HEAT: -24500.08 CYCLE: 494 TIME: 84.617 TIME LEFT: 1.93W GRAD.: 6.439 HEAT: -24500.06 CYCLE: 495 TIME: 66.703 TIME LEFT: 1.93W GRAD.: 3.481 HEAT: -24500.08 CYCLE: 496 TIME: 80.484 TIME LEFT: 1.93W GRAD.: 55.156 HEAT: -24500.06 CYCLE: 497 TIME: 71.836 TIME LEFT: 1.93W GRAD.: 29.508 HEAT: -24500.06 CYCLE: 498 TIME: 84.336 TIME LEFT: 1.93W GRAD.: 14.331 HEAT: -24499.94 CYCLE: 499 TIME: 76.625 TIME LEFT: 1.93W GRAD.: 18.693 HEAT: -24500.06 CYCLE: 500 TIME: 83.195 TIME LEFT: 1.93W GRAD.: 26.100 HEAT: -24499.99 CYCLE: 501 TIME: 78.797 TIME LEFT: 1.93W GRAD.: 8.845 HEAT: -24500.02 CYCLE: 502 TIME: 84.766 TIME LEFT: 1.92W GRAD.: 46.584 HEAT: -24499.97 CYCLE: 503 TIME: 77.508 TIME LEFT: 1.92W GRAD.: 6.404 HEAT: -24500.06 CYCLE: 504 TIME: 80.586 TIME LEFT: 1.92W GRAD.: 9.383 HEAT: -24500.07 CYCLE: 505 TIME: 67.531 TIME LEFT: 1.92W GRAD.: 4.179 HEAT: -24500.08 CYCLE: 506 TIME: 80.500 TIME LEFT: 1.92W GRAD.: 4.653 HEAT: -24500.09 CYCLE: 507 TIME: 84.109 TIME LEFT: 1.92W GRAD.: 3.954 HEAT: -24500.09 CYCLE: 508 TIME: 67.664 TIME LEFT: 1.92W GRAD.: 5.082 HEAT: -24500.07 CYCLE: 509 TIME: 83.422 TIME LEFT: 1.92W GRAD.: 3.626 HEAT: -24500.08 CYCLE: 510 TIME: 83.914 TIME LEFT: 1.92W GRAD.: 5.419 HEAT: -24500.08 CYCLE: 511 TIME: 81.250 TIME LEFT: 1.92W GRAD.: 3.789 HEAT: -24500.08 CYCLE: 512 TIME: 82.867 TIME LEFT: 1.92W GRAD.: 6.968 HEAT: -24500.06 CYCLE: 513 TIME: 66.922 TIME LEFT: 1.92W GRAD.: 4.064 HEAT: -24500.07 CYCLE: 514 TIME: 82.211 TIME LEFT: 1.92W GRAD.: 6.048 HEAT: -24500.08 CYCLE: 515 TIME: 71.961 TIME LEFT: 1.92W GRAD.: 4.468 HEAT: -24500.09 CYCLE: 516 TIME: 85.695 TIME LEFT: 1.92W GRAD.: 7.734 HEAT: -24500.06 CYCLE: 517 TIME: 66.844 TIME LEFT: 1.92W GRAD.: 7.435 HEAT: -24500.08 CYCLE: 518 TIME: 82.523 TIME LEFT: 1.92W GRAD.: 3.915 HEAT: -24500.08 CYCLE: 519 TIME: 81.930 TIME LEFT: 1.92W GRAD.: 3.922 HEAT: -24500.09 CYCLE: 520 TIME: 67.367 TIME LEFT: 1.92W GRAD.: 3.461 HEAT: -24500.08 CYCLE: 521 TIME: 81.320 TIME LEFT: 1.92W GRAD.: 3.485 HEAT: -24500.09 CYCLE: 522 TIME: 83.992 TIME LEFT: 1.92W GRAD.: 3.370 HEAT: -24500.08 CYCLE: 523 TIME: 67.688 TIME LEFT: 1.92W GRAD.: 3.664 HEAT: -24500.09 CYCLE: 524 TIME: 83.008 TIME LEFT: 1.92W GRAD.: 4.107 HEAT: -24500.09 CYCLE: 525 TIME: 83.383 TIME LEFT: 1.92W GRAD.: 6.219 HEAT: -24500.09 CYCLE: 526 TIME: 79.383 TIME LEFT: 1.92W GRAD.: 67.896 HEAT: -24500.01 CYCLE: 527 TIME: 82.422 TIME LEFT: 1.92W GRAD.: 17.247 HEAT: -24500.03 CYCLE: 528 TIME: 66.250 TIME LEFT: 1.92W GRAD.: 27.448 HEAT: -24500.02 CYCLE: 529 TIME: 83.523 TIME LEFT: 1.92W GRAD.: 32.978 HEAT: -24500.03 CYCLE: 530 TIME: 70.805 TIME LEFT: 1.92W GRAD.: 36.233 HEAT: -24500.08 CYCLE: 531 TIME: 83.039 TIME LEFT: 1.92W GRAD.: 6.030 HEAT: -24500.07 CYCLE: 532 TIME: 66.758 TIME LEFT: 1.92W GRAD.: 41.807 HEAT: -24500.05 CYCLE: 533 TIME: 78.977 TIME LEFT: 1.92W GRAD.: 17.843 HEAT: -24500.03 CYCLE: 534 TIME: 70.281 TIME LEFT: 1.92W GRAD.: 27.941 HEAT: -24500.02 CYCLE: 535 TIME: 83.992 TIME LEFT: 1.92W GRAD.: 53.429 HEAT: -24500.04 CYCLE: 536 TIME: 76.938 TIME LEFT: 1.92W GRAD.: 9.129 HEAT: -24500.07 CYCLE: 537 TIME: 82.289 TIME LEFT: 1.92W GRAD.: 35.125 HEAT: -24500.03 CYCLE: 538 TIME: 77.859 TIME LEFT: 1.92W GRAD.: 11.663 HEAT: -24500.09 CYCLE: 539 TIME: 85.180 TIME LEFT: 1.92W GRAD.: 8.132 HEAT: -24500.09 CYCLE: 540 TIME: 67.016 TIME LEFT: 1.92W GRAD.: 29.719 HEAT: -24500.08 CYCLE: 541 TIME: 84.242 TIME LEFT: 1.92W GRAD.: 33.607 HEAT: -24500.09 CYCLE: 542 TIME: 81.758 TIME LEFT: 1.92W GRAD.: 14.394 HEAT: -24500.08 CYCLE: 543 TIME: 77.250 TIME LEFT: 1.92W GRAD.: 18.827 HEAT: -24500.05 CYCLE: 544 TIME: 70.609 TIME LEFT: 1.92W GRAD.: 7.670 HEAT: -24500.13 CYCLE: 545 TIME: 79.328 TIME LEFT: 1.92W GRAD.: 13.637 HEAT: -24500.06 CYCLE: 546 TIME: 66.719 TIME LEFT: 1.92W GRAD.: 4.208 HEAT: -24500.08 CYCLE: 547 TIME: 80.211 TIME LEFT: 1.92W GRAD.: 3.375 HEAT: -24500.07 CYCLE: 548 TIME: 72.797 TIME LEFT: 1.92W GRAD.: 7.215 HEAT: -24500.08 CYCLE: 549 TIME: 81.445 TIME LEFT: 1.92W GRAD.: 5.165 HEAT: -24500.09 CYCLE: 550 TIME: 77.359 TIME LEFT: 1.92W GRAD.: 24.818 HEAT: -24500.09 CYCLE: 551 TIME: 83.164 TIME LEFT: 1.92W GRAD.: 3.437 HEAT: -24500.10 CYCLE: 552 TIME: 67.422 TIME LEFT: 1.92W GRAD.: 6.194 HEAT: -24500.08 CYCLE: 553 TIME: 83.273 TIME LEFT: 1.92W GRAD.: 5.114 HEAT: -24500.08 CYCLE: 554 TIME: 71.711 TIME LEFT: 1.92W GRAD.: 10.690 HEAT: -24500.08 CYCLE: 555 TIME: 85.352 TIME LEFT: 1.92W GRAD.: 4.420 HEAT: -24500.10 CYCLE: 556 TIME: 67.938 TIME LEFT: 1.92W GRAD.: 7.093 HEAT: -24500.08 CYCLE: 557 TIME: 83.086 TIME LEFT: 1.92W GRAD.: 3.593 HEAT: -24500.09 CYCLE: 558 TIME: 71.867 TIME LEFT: 1.92W GRAD.: 64.698 HEAT: -24500.08 CYCLE: 559 TIME: 84.508 TIME LEFT: 1.92W GRAD.: 44.239 HEAT: -24499.97 CYCLE: 560 TIME: 66.484 TIME LEFT: 1.92W GRAD.: 17.727 HEAT: -24500.04 CYCLE: 561 TIME: 82.711 TIME LEFT: 1.92W GRAD.: 11.446 HEAT: -24500.06 CYCLE: 562 TIME: 71.438 TIME LEFT: 1.92W GRAD.: 10.830 HEAT: -24500.08 CYCLE: 563 TIME: 83.352 TIME LEFT: 1.92W GRAD.: 15.606 HEAT: -24500.04 CYCLE: 564 TIME: 66.797 TIME LEFT: 1.92W GRAD.: 4.312 HEAT: -24500.09 CYCLE: 565 TIME: 82.727 TIME LEFT: 1.92W GRAD.: 5.810 HEAT: -24500.10 CYCLE: 566 TIME: 86.781 TIME LEFT: 1.92W GRAD.: 3.988 HEAT: -24500.09 CYCLE: 567 TIME: 67.812 TIME LEFT: 1.92W GRAD.: 4.848 HEAT: -24500.10 CYCLE: 568 TIME: 84.992 TIME LEFT: 1.92W GRAD.: 4.844 HEAT: -24500.10 CYCLE: 569 TIME: 71.242 TIME LEFT: 1.92W GRAD.: 60.363 HEAT: -24500.09 CYCLE: 570 TIME: 88.172 TIME LEFT: 1.92W GRAD.: 6.985 HEAT: -24500.10 RESTART FILE WRITTEN, TIME LEFT: 1.92W GRAD.: 4.783 HEAT: -24500.10 CYCLE: 572 TIME: 85.680 TIME LEFT: 1.92W GRAD.: 10.643 HEAT: -24500.08 CYCLE: 573 TIME: 71.008 TIME LEFT: 1.92W GRAD.: 4.787 HEAT: -24500.09 CYCLE: 574 TIME: 87.859 TIME LEFT: 1.92W GRAD.: 7.288 HEAT: -24500.10 CYCLE: 575 TIME: 68.016 TIME LEFT: 1.92W GRAD.: 5.264 HEAT: -24500.10 CYCLE: 576 TIME: 85.242 TIME LEFT: 1.92W GRAD.: 23.023 HEAT: -24500.07 CYCLE: 577 TIME: 71.977 TIME LEFT: 1.92W GRAD.: 4.636 HEAT: -24500.09 CYCLE: 578 TIME: 86.875 TIME LEFT: 1.92W GRAD.: 6.514 HEAT: -24500.10 CYCLE: 579 TIME: 67.672 TIME LEFT: 1.92W GRAD.: 4.999 HEAT: -24500.10 CYCLE: 580 TIME: 84.539 TIME LEFT: 1.91W GRAD.: 67.468 HEAT: -24500.06 CYCLE: 581 TIME: 70.344 TIME LEFT: 1.91W GRAD.: 4.436 HEAT: -24500.10 CYCLE: 582 TIME: 87.766 TIME LEFT: 1.91W GRAD.: 8.850 HEAT: -24500.08 CYCLE: 583 TIME: 68.312 TIME LEFT: 1.91W GRAD.: 4.410 HEAT: -24500.09 CYCLE: 584 TIME: 85.438 TIME LEFT: 1.91W GRAD.: 7.270 HEAT: -24500.10 CYCLE: 585 TIME: 72.539 TIME LEFT: 1.91W GRAD.: 4.520 HEAT: -24500.10 CYCLE: 586 TIME: 88.062 TIME LEFT: 1.91W GRAD.: 61.794 HEAT: -24500.08 CYCLE: 587 TIME: 68.672 TIME LEFT: 1.91W GRAD.: 9.113 HEAT: -24500.09 CYCLE: 588 TIME: 84.914 TIME LEFT: 1.91W GRAD.: 8.147 HEAT: -24500.10 CYCLE: 589 TIME: 71.445 TIME LEFT: 1.91W GRAD.: 6.999 HEAT: -24500.10 CYCLE: 590 TIME: 87.172 TIME LEFT: 1.91W GRAD.: 55.752 HEAT: -24500.05 CYCLE: 591 TIME: 67.938 TIME LEFT: 1.91W GRAD.: 6.092 HEAT: -24500.10 CYCLE: 592 TIME: 84.867 TIME LEFT: 1.91W GRAD.: 10.368 HEAT: -24500.08 CYCLE: 593 TIME: 71.211 TIME LEFT: 1.91W GRAD.: 8.021 HEAT: -24500.09 CYCLE: 594 TIME: 88.094 TIME LEFT: 1.91W GRAD.: 6.609 HEAT: -24500.09 CYCLE: 595 TIME: 68.344 TIME LEFT: 1.91W GRAD.: 6.537 HEAT: -24500.10 CYCLE: 596 TIME: 84.477 TIME LEFT: 1.91W GRAD.: 10.095 HEAT: -24500.07 CYCLE: 597 TIME: 71.211 TIME LEFT: 1.91W GRAD.: 33.444 HEAT: -24500.08 **** JOB STOPPED BY OPERATOR **** RESTART FILE WRITTEN, TIME LEFT: 0.00S GRAD.: 8.508 HEAT: -24500.07 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 = -24500.442534 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) -2.99479837 +0 8.95621810 +0 -17.72669820 +0 C(ATOM 2 CA ALA A 3) -4.02703485 +0 8.06001367 +0 -17.19134808 +0 C(ATOM 3 C ALA A 3) -3.62932479 +0 6.57489130 +0 -17.28737967 +0 O(ATOM 4 O ALA A 3) -2.74354795 +0 6.11753207 +0 -18.00798681 +0 C(ATOM 5 CB ALA A 3) -5.36890733 +0 8.26237433 +0 -17.89351954 +0 H(ATOM 6 1H ALA A 3) -2.07891444 +0 8.72711362 +0 -17.34509804 +0 H(ATOM 7 2H ALA A 3) -2.92945287 +0 8.89672558 +0 -18.73717175 +0 H(ATOM 8 HA ALA A 3) -4.13867397 +0 8.31359679 +0 -16.09314361 +0 H(ATOM 9 1HB ALA A 3) -5.68531781 +0 9.31472455 +0 -17.83718113 +0 H(ATOM 10 2HB ALA A 3) -5.34021594 +0 7.99163252 +0 -18.95650719 +0 H(ATOM 11 3HB ALA A 3) -6.16954672 +0 7.67051626 +0 -17.42734359 +0 N(ATOM 12 N SER A 4) -4.31748577 +0 5.75643876 +0 -16.44795784 +0 C(ATOM 13 CA SER A 4) -3.93409569 +0 4.36492904 +0 -16.26988954 +0 C(ATOM 14 C SER A 4) -5.22730080 +0 3.57461885 +0 -16.06217061 +0 O(ATOM 15 O SER A 4) -6.27921842 +0 4.10847469 +0 -15.74844188 +0 C(ATOM 16 CB SER A 4) -3.01547401 +0 4.23910372 +0 -15.02982825 +0 O(ATOM 17 OG SER A 4) -3.62512586 +0 4.81703214 +0 -13.90395341 +0 H(ATOM 18 H SER A 4) -5.08995517 +0 6.08547494 +0 -15.86650222 +0 H(ATOM 19 HA SER A 4) -3.38088666 +0 3.98215642 +0 -17.17926983 +0 H(ATOM 20 1HB SER A 4) -2.74876267 +0 3.18801520 +0 -14.82399805 +0 H(ATOM 21 2HB SER A 4) -2.09302930 +0 4.84492685 +0 -15.16164588 +0 H(ATOM 22 HG SER A 4) -4.43289009 +0 4.32151635 +0 -13.63981338 +0 N(ATOM 23 N ARG A 5) -5.11862983 +0 2.22631952 +0 -16.22209056 +0 C(ATOM 24 CA ARG A 5) -6.28751174 +0 1.35940224 +0 -16.06559241 +0 C(ATOM 25 C ARG A 5) -5.92935761 +0 0.42626984 +0 -14.90226877 +0 O(ATOM 26 O ARG A 5) -4.80271395 +0 -0.01488183 +0 -14.73884176 +0 C(ATOM 27 CB ARG A 5) -6.51693299 +0 0.60602953 +0 -17.38528896 +0 C(ATOM 28 CG ARG A 5) -7.69904490 +0 -0.36267137 +0 -17.36181268 +0 C(ATOM 29 CD ARG A 5) -9.05234443 +0 0.37057681 +0 -17.27380965 +0 N(ATOM 30 NE ARG A 5) -10.03808244 +0 -0.06947498 +0 -18.27157439 +0 C(ATOM 31 CZ ARG A 5) -11.06369408 +0 -0.98227105 +0 -17.99281832 +0 N(ATOM 32 NH1 ARG A 5) -11.46624966 +0 -1.16162358 +0 -16.66080385 +0 N(ATOM 33 NH2 ARG A 5) -11.73069602 +0 -1.45859617 +0 -19.01698613 +0 H(ATOM 34 H ARG A 5) -4.25003573 +0 1.78933950 +0 -16.53313502 +0 H(ATOM 35 HA ARG A 5) -7.19739668 +0 1.97811859 +0 -15.80706963 +0 H(ATOM 36 1HB ARG A 5) -6.66297725 +0 1.36292528 +0 -18.18885832 +0 H(ATOM 37 2HB ARG A 5) -5.58988457 +0 0.05929299 +0 -17.65988071 +0 H(ATOM 38 1HG ARG A 5) -7.59372651 +0 -1.08543985 +0 -16.52791720 +0 H(ATOM 39 2HG ARG A 5) -7.65764377 +0 -0.99292493 +0 -18.27480723 +0 H(ATOM 40 1HD ARG A 5) -9.45899702 +0 0.30120069 +0 -16.23854419 +0 H(ATOM 41 2HD ARG A 5) -8.91320354 +0 1.46798031 +0 -17.45453810 +0 H(ATOM 42 HE ARG A 5) -9.67485983 +0 -0.11686034 +0 -19.22391319 +0 H(ATOM 43 1HH1 ARG A 5) -12.00173733 +0 -1.99339655 +0 -16.44930600 +0 H(ATOM 44 2HH1 ARG A 5) -10.80260280 +0 -0.96065714 +0 -15.91773973 +0 H(ATOM 45 HH2 ARG A 5) -12.57037219 +0 -1.99486472 +0 -18.83879960 +0 N(ATOM 46 N LEU A 6) -6.89893320 +0 0.18291535 +0 -13.97339244 +0 C(ATOM 47 CA LEU A 6) -6.56360586 +0 -0.59693613 +0 -12.78475193 +0 C(ATOM 48 C LEU A 6) -6.72824822 +0 -2.09390616 +0 -13.10796497 +0 O(ATOM 49 O LEU A 6) -7.74195768 +0 -2.51700126 +0 -13.65610365 +0 C(ATOM 50 CB LEU A 6) -7.55155042 +0 -0.30314875 +0 -11.64650801 +0 C(ATOM 51 CG LEU A 6) -7.31050553 +0 1.06411931 +0 -10.98375857 +0 C(ATOM 52 CD1 LEU A 6) -8.49707704 +0 1.35512211 +0 -10.05756601 +0 C(ATOM 53 CD2 LEU A 6) -5.99776049 +0 1.08010726 +0 -10.19745517 +0 H(ATOM 54 H LEU A 6) -7.87344665 +0 0.45465128 +0 -14.09057657 +0 H(ATOM 55 HA LEU A 6) -5.50002040 +0 -0.37126275 +0 -12.46838881 +0 H(ATOM 56 1HB LEU A 6) -8.59200542 +0 -0.34505775 +0 -12.03985243 +0 H(ATOM 57 2HB LEU A 6) -7.49047757 +0 -1.10127766 +0 -10.88066396 +0 H(ATOM 58 HG LEU A 6) -7.26623698 +0 1.85354328 +0 -11.77465173 +0 H(ATOM 59 1HD1 LEU A 6) -9.44180418 +0 1.38781353 +0 -10.61405733 +0 H(ATOM 60 2HD1 LEU A 6) -8.59978266 +0 0.59421094 +0 -9.27681211 +0 H(ATOM 61 3HD1 LEU A 6) -8.38527235 +0 2.32120432 +0 -9.55316389 +0 H(ATOM 62 1HD2 LEU A 6) -5.12252383 +0 1.02928164 +0 -10.85945176 +0 H(ATOM 63 2HD2 LEU A 6) -5.89395178 +0 2.01137143 +0 -9.62509932 +0 H(ATOM 64 3HD2 LEU A 6) -5.93665137 +0 0.24863968 +0 -9.49141173 +0 N(ATOM 65 N TYR A 7) -5.71989183 +0 -2.90764836 +0 -12.70602087 +0 C(ATOM 66 CA TYR A 7) -5.76517767 +1 -4.35205404 +1 -12.91192784 +1 C(ATOM 67 C TYR A 7) -5.35951768 +1 -4.98283980 +1 -11.56937889 +1 O(ATOM 68 O TYR A 7) -4.61175740 +0 -4.38747027 +0 -10.80763903 +0 C(ATOM 69 CB TYR A 7) -4.70681227 +1 -4.83111696 +1 -13.93404268 +1 C(ATOM 70 CG TYR A 7) -5.09632905 +1 -4.47445929 +1 -15.33092046 +1 C(ATOM 71 CD1 TYR A 7) -4.85135506 +1 -3.18397545 +1 -15.80175674 +1 C(ATOM 72 CD2 TYR A 7) -5.68407836 +1 -5.42986928 +1 -16.16761152 +1 C(ATOM 73 CE1 TYR A 7) -5.16035107 +0 -2.84882466 +0 -17.11381350 +0 C(ATOM 74 CE2 TYR A 7) -6.00833505 +1 -5.11431988 +1 -17.48003962 +1 C(ATOM 75 CZ TYR A 7) -5.72979757 +1 -3.82097208 +1 -17.93809745 +1 O(ATOM 76 OH TYR A 7) -6.05017363 +0 -3.55550068 +0 -19.22454005 +0 H(ATOM 77 H TYR A 7) -4.84024044 +0 -2.54419354 +0 -12.30714843 +0 H(ATOM 78 HA TYR A 7) -6.79535892 +1 -4.67390229 +1 -13.24113372 +1 H(ATOM 79 1HB TYR A 7) -4.57423305 +1 -5.92995655 +1 -13.83793584 +1 H(ATOM 80 2HB TYR A 7) -3.71696337 +1 -4.38617346 +1 -13.68565476 +1 H(ATOM 81 HD1 TYR A 7) -4.43141514 +0 -2.42685618 +0 -15.13747718 +0 H(ATOM 82 HD2 TYR A 7) -5.88889930 +1 -6.43515389 +1 -15.79612228 +1 H(ATOM 83 HE1 TYR A 7) -4.96523014 +0 -1.85327870 +0 -17.49843115 +0 H(ATOM 84 HE2 TYR A 7) -6.45148904 +1 -5.84894779 +1 -18.15094522 +1 H(ATOM 85 HH TYR A 7) -5.71670636 +0 -2.65799665 +0 -19.52034635 +0 N(ATOM 86 N THR A 8) -5.79394871 +1 -6.24930965 +1 -11.31114539 +1 C(ATOM 87 CA THR A 8) -5.37799175 +1 -6.93183099 +1 -10.09804281 +1 C(ATOM 88 C THR A 8) -4.59440533 +1 -8.19309856 +1 -10.49263585 +1 O(ATOM 89 O THR A 8) -4.95692948 +1 -8.85140778 +1 -11.46569630 +1 C(ATOM 90 CB THR A 8) -6.60095258 +1 -7.42281542 +1 -9.26721082 +1 O(ATOM 91 OG1 THR A 8) -7.42707993 +1 -8.23680982 +1 -10.08020841 +1 C(ATOM 92 CG2 THR A 8) -7.45280907 +0 -6.25588920 +0 -8.82046808 +0 H(ATOM 93 H THR A 8) -6.48160893 +1 -6.71918944 +1 -11.90273103 +1 H(ATOM 94 HA THR A 8) -4.74487738 +1 -6.24510736 +1 -9.45541102 +1 H(ATOM 95 HB THR A 8) -6.24102740 +0 -8.03694655 +0 -8.41184042 +0 H(ATOM 96 HG1 THR A 8) -6.97145270 +1 -9.07199863 +1 -10.31067624 +1 H(ATOM 97 1HG2 THR A 8) -8.28201405 +0 -6.57441359 +0 -8.16920118 +0 H(ATOM 98 2HG2 THR A 8) -6.86183134 +0 -5.52184945 +0 -8.25868612 +0 H(ATOM 99 3HG2 THR A 8) -7.90967379 +0 -5.73505376 +0 -9.67412154 +0 N(ATOM 100 N LEU A 9) -3.61084287 +1 -8.58544111 +1 -9.64657608 +1 C(ATOM 101 CA LEU A 9) -2.87616996 +1 -9.84262609 +1 -9.83340148 +1 C(ATOM 102 C LEU A 9) -2.82379558 +1 -10.49452912 +1 -8.43281680 +1 O(ATOM 103 O LEU A 9) -2.40838155 +0 -9.85539043 +0 -7.47808624 +0 C(ATOM 104 CB LEU A 9) -1.44537789 +1 -9.55364579 +1 -10.31090861 +1 C(ATOM 105 CG LEU A 9) -0.70414195 +1 -10.83519743 +1 -10.73392410 +1 C(ATOM 106 CD1 LEU A 9) -1.42330907 +1 -11.52825548 +1 -11.89247607 +1 C(ATOM 107 CD2 LEU A 9) 0.72569893 +1 -10.46267375 +1 -11.13837810 +1 H(ATOM 108 H LEU A 9) -3.24331184 +1 -7.96762718 +1 -8.90618694 +1 H(ATOM 109 HA LEU A 9) -3.41972450 +1 -10.49721055 +1 -10.57280063 +1 H(ATOM 110 1HB LEU A 9) -0.87503602 +1 -9.03877984 +1 -9.51139224 +1 H(ATOM 111 2HB LEU A 9) -1.47490204 +1 -8.84768230 +1 -11.16511295 +1 H(ATOM 112 HG LEU A 9) -0.66360062 +1 -11.53363087 +1 -9.86382089 +1 H(ATOM 113 1HD1 LEU A 9) -2.25568380 +1 -12.14858014 +1 -11.55280385 +1 H(ATOM 114 2HD1 LEU A 9) -1.83177233 +1 -10.80586812 +1 -12.60944812 +1 H(ATOM 115 3HD1 LEU A 9) -0.73397183 +1 -12.16998911 +1 -12.46176317 +1 H(ATOM 116 1HD2 LEU A 9) 1.23655803 +1 -9.88357887 +1 -10.36422758 +1 H(ATOM 117 2HD2 LEU A 9) 1.32398766 +1 -11.36056830 +1 -11.33608279 +1 H(ATOM 118 3HD2 LEU A 9) 0.74368886 +1 -9.87923985 +1 -12.07155752 +1 N(ATOM 119 N VAL A 10) -3.23561387 +0 -11.79252903 +0 -8.33502665 +0 C(ATOM 120 CA VAL A 10) -3.37059358 +0 -12.44511036 +0 -7.03569788 +0 C(ATOM 121 C VAL A 10) -2.46001392 +0 -13.68601979 +0 -7.07805193 +0 O(ATOM 122 O VAL A 10) -2.56222298 +0 -14.54527116 +0 -7.94828121 +0 C(ATOM 123 CB VAL A 10) -4.82588512 +0 -12.93304152 +0 -6.79175474 +0 C(ATOM 124 CG1 VAL A 10) -4.89194982 +0 -13.70086468 +0 -5.47013240 +0 C(ATOM 125 CG2 VAL A 10) -5.79381687 +0 -11.74953647 +0 -6.79569314 +0 H(ATOM 126 H VAL A 10) -3.71992673 +1 -12.25512403 +1 -9.11469167 +1 H(ATOM 127 HA VAL A 10) -3.05605869 +0 -11.73836585 +0 -6.21330862 +0 H(ATOM 128 HB VAL A 10) -5.11080074 +0 -13.62317825 +0 -7.62684808 +0 H(ATOM 129 1HG1 VAL A 10) -4.32737066 +0 -14.64130914 +0 -5.52134697 +0 H(ATOM 130 2HG1 VAL A 10) -4.48781250 +0 -13.12051499 +0 -4.63195974 +0 H(ATOM 131 3HG1 VAL A 10) -5.92715126 +0 -13.96129952 +0 -5.21898933 +0 H(ATOM 132 1HG2 VAL A 10) -5.81420107 +0 -11.26365777 +0 -7.78100160 +0 H(ATOM 133 2HG2 VAL A 10) -6.82272587 +0 -12.07913297 +0 -6.59223849 +0 H(ATOM 134 3HG2 VAL A 10) -5.52587619 +0 -10.99566775 +0 -6.04900791 +0 N(ATOM 135 N LEU A 11) -1.56059897 +0 -13.77390502 +0 -6.06068384 +0 C(ATOM 136 CA LEU A 11) -0.64592154 +0 -14.90361979 +0 -5.94377644 +0 C(ATOM 137 C LEU A 11) -1.02633960 +0 -15.62761804 +0 -4.63257117 +0 O(ATOM 138 O LEU A 11) -0.98044061 +0 -15.09350800 +0 -3.53752552 +0 C(ATOM 139 CB LEU A 11) 0.82215671 +0 -14.46686421 +0 -5.83719726 +0 C(ATOM 140 CG LEU A 11) 1.49874365 +0 -14.17317966 +0 -7.19026456 +0 C(ATOM 141 CD1 LEU A 11) 1.35199569 +0 -15.33909019 +0 -8.17351836 +0 C(ATOM 142 CD2 LEU A 11) 0.97326502 +0 -12.88379063 +0 -7.82810330 +0 H(ATOM 143 H LEU A 11) -1.42703217 +0 -13.01272947 +0 -5.38749707 +0 H(ATOM 144 HA LEU A 11) -0.77907710 +0 -15.59250593 +0 -6.82741355 +0 H(ATOM 145 1HB LEU A 11) 1.39740219 +0 -15.25690677 +0 -5.31081149 +0 H(ATOM 146 2HB LEU A 11) 0.89845709 +0 -13.57380239 +0 -5.17972606 +0 H(ATOM 147 HG LEU A 11) 2.59092799 +0 -14.03064451 +0 -6.97530901 +0 H(ATOM 148 1HD1 LEU A 11) 1.64097662 +0 -16.29338049 +0 -7.72029709 +0 H(ATOM 149 2HD1 LEU A 11) 0.32116361 +0 -15.44654885 +0 -8.53334725 +0 H(ATOM 150 3HD1 LEU A 11) 1.97773958 +0 -15.18785966 +0 -9.06119374 +0 H(ATOM 151 1HD2 LEU A 11) 1.03966816 +0 -12.03586059 +0 -7.13690427 +0 H(ATOM 152 2HD2 LEU A 11) 1.54396223 +1 -12.62318186 +1 -8.72641801 +1 H(ATOM 153 3HD2 LEU A 11) -0.07762465 +0 -12.97640360 +0 -8.12441471 +0 N(ATOM 154 N VAL A 12) -1.36346827 +0 -16.94139519 +0 -4.79070615 +0 C(ATOM 155 CA VAL A 12) -1.65373571 +0 -17.79105608 +0 -3.63755875 +0 C(ATOM 156 C VAL A 12) -0.29018389 +0 -18.43301030 +0 -3.30547013 +0 O(ATOM 157 O VAL A 12) 0.21890293 +0 -19.31069861 +0 -3.98606919 +0 C(ATOM 158 CB VAL A 12) -2.70662447 +0 -18.86493186 +0 -3.98933166 +0 C(ATOM 159 CG1 VAL A 12) -2.90181035 +0 -19.79935882 +0 -2.79486904 +0 C(ATOM 160 CG2 VAL A 12) -4.02187446 +0 -18.18418958 +0 -4.37649709 +0 H(ATOM 161 H VAL A 12) -1.56006427 +0 -17.33631101 +0 -5.72264900 +0 H(ATOM 162 HA VAL A 12) -2.02332780 +0 -17.17373260 +0 -2.76976296 +0 H(ATOM 163 HB VAL A 12) -2.33228122 +0 -19.46358731 +0 -4.86057540 +0 H(ATOM 164 1HG1 VAL A 12) -1.97489440 +0 -20.34142772 +0 -2.56195628 +0 H(ATOM 165 2HG1 VAL A 12) -3.20449260 +0 -19.25615338 +0 -1.89305140 +0 H(ATOM 166 3HG1 VAL A 12) -3.67720299 +0 -20.54749077 +0 -3.00537484 +0 H(ATOM 167 1HG2 VAL A 12) -3.89530775 +0 -17.54384019 +0 -5.26205754 +0 H(ATOM 168 2HG2 VAL A 12) -4.79419422 +0 -18.91961389 +0 -4.62447999 +0 H(ATOM 169 3HG2 VAL A 12) -4.40614148 +0 -17.55275037 +0 -3.56806847 +0 N(ATOM 170 N LEU A 13) 0.35489726 +0 -17.88067080 +0 -2.23779469 +0 C(ATOM 171 CA LEU A 13) 1.73042753 +0 -18.24005436 +0 -1.90106119 +0 C(ATOM 172 C LEU A 13) 1.68135670 +0 -18.90529389 +0 -0.51427038 +0 O(ATOM 173 O LEU A 13) 1.41360739 +0 -18.29701584 +0 0.51234225 +0 C(ATOM 174 CB LEU A 13) 2.60285898 +0 -16.98234566 +0 -1.84464913 +0 C(ATOM 175 CG LEU A 13) 4.04839099 +0 -17.24497476 +0 -1.38472449 +0 C(ATOM 176 CD1 LEU A 13) 4.74663007 +0 -18.30540047 +0 -2.23923089 +0 C(ATOM 177 CD2 LEU A 13) 4.80162336 +0 -15.91072165 +0 -1.46398496 +0 H(ATOM 178 H LEU A 13) -0.07067060 +0 -17.13518039 +0 -1.68543152 +0 H(ATOM 179 HA LEU A 13) 2.13365646 +0 -18.95866841 +0 -2.67415397 +0 H(ATOM 180 1HB LEU A 13) 2.60544115 +0 -16.50330929 +0 -2.84385763 +0 H(ATOM 181 2HB LEU A 13) 2.13817344 +0 -16.24330899 +0 -1.15736018 +0 H(ATOM 182 HG LEU A 13) 4.03592323 +0 -17.59221046 +0 -0.32102702 +0 H(ATOM 183 1HD1 LEU A 13) 4.32159653 +0 -19.30485237 +0 -2.07391729 +0 H(ATOM 184 2HD1 LEU A 13) 4.67640139 +0 -18.07581036 +0 -3.30646069 +0 H(ATOM 185 3HD1 LEU A 13) 5.81266583 +0 -18.37805179 +0 -1.98314626 +0 H(ATOM 186 1HD2 LEU A 13) 4.29397839 +0 -15.13215665 +0 -0.88171766 +0 H(ATOM 187 2HD2 LEU A 13) 5.81929861 +0 -15.99680773 +0 -1.07084282 +0 H(ATOM 188 3HD2 LEU A 13) 4.86409829 +0 -15.54617814 +0 -2.49590564 +0 N(ATOM 189 N GLN A 14) 1.85751355 +0 -20.25719708 +0 -0.54820523 +0 C(ATOM 190 CA GLN A 14) 1.85987239 +0 -21.07380953 +0 0.66125918 +0 C(ATOM 191 C GLN A 14) 3.32981430 +0 -21.31120485 +0 1.02918775 +0 O(ATOM 192 O GLN A 14) 4.23346240 +0 -20.96297109 +0 0.27877099 +0 C(ATOM 193 CB GLN A 14) 1.07256551 +0 -22.36537939 +0 0.36302614 +0 C(ATOM 194 CG GLN A 14) -0.37508199 +0 -21.98369385 +0 0.03989010 +0 C(ATOM 195 CD GLN A 14) -1.30328372 +0 -23.16216805 +0 0.09646193 +0 O(ATOM 196 OE1 GLN A 14) -0.94372833 +0 -24.32697310 +0 0.00814067 +0 N(ATOM 197 NE2 GLN A 14) -2.64804594 +0 -22.89555750 +0 0.18408368 +0 H(ATOM 198 H GLN A 14) 2.26437156 +0 -20.71524392 +0 -1.37059243 +0 H(ATOM 199 HA GLN A 14) 1.37063283 +0 -20.51150862 +0 1.50912473 +0 H(ATOM 200 1HB GLN A 14) 1.52571800 +0 -22.91220427 +0 -0.49196073 +0 H(ATOM 201 2HB GLN A 14) 1.12267854 +0 -23.06477998 +0 1.21886351 +0 H(ATOM 202 1HG GLN A 14) -0.42530421 +0 -21.52579614 +0 -0.97545672 +0 H(ATOM 203 2HG GLN A 14) -0.72441558 +0 -21.17760484 +0 0.72240166 +0 H(ATOM 204 1HE2 GLN A 14) -3.30333650 +0 -23.65992003 +0 0.26263739 +0 H(ATOM 205 2HE2 GLN A 14) -2.99119238 +0 -21.99551268 +0 0.43650080 +0 N(ATOM 206 N PRO A 15) 3.64735525 +0 -21.98397566 +0 2.17011644 +0 C(ATOM 207 CA PRO A 15) 5.04246874 +0 -21.95067116 +0 2.65008325 +0 C(ATOM 208 C PRO A 15) 6.00439308 +0 -22.57296659 +0 1.63656045 +0 O(ATOM 209 O PRO A 15) 7.11934007 +0 -22.09258152 +0 1.47943391 +0 C(ATOM 210 CB PRO A 15) 5.01524414 +0 -22.71431328 +0 3.98917258 +0 C(ATOM 211 CG PRO A 15) 3.58841878 +0 -22.46162612 +0 4.50630526 +0 C(ATOM 212 CD PRO A 15) 2.73122599 +0 -22.45837524 +0 3.22618382 +0 H(ATOM 213 HA PRO A 15) 5.36231711 +0 -20.88052510 +0 2.80923932 +0 H(ATOM 214 1HB PRO A 15) 5.19583090 +0 -23.79678693 +0 3.85201922 +0 H(ATOM 215 2HB PRO A 15) 5.78730920 +0 -22.35741016 +0 4.68915323 +0 H(ATOM 216 1HG PRO A 15) 3.52329509 +0 -21.48847800 +0 5.02793345 +0 H(ATOM 217 2HG PRO A 15) 3.25660702 +0 -23.22237014 +0 5.23000262 +0 H(ATOM 218 1HD PRO A 15) 2.39911961 +0 -23.49432583 +0 2.97225115 +0 H(ATOM 219 2HD PRO A 15) 1.83507999 +0 -21.81676326 +0 3.32394627 +0 N(ATOM 220 N GLN A 16) 5.59089291 +0 -23.67407757 +0 0.94269706 +0 C(ATOM 221 CA GLN A 16) 6.49996359 +0 -24.35474146 +0 0.02767006 +0 C(ATOM 222 C GLN A 16) 5.96746528 +0 -24.35289148 +0 -1.41259278 +0 O(ATOM 223 O GLN A 16) 6.51117635 +0 -25.06621922 +0 -2.25635052 +0 C(ATOM 224 CB GLN A 16) 6.71069197 +0 -25.81876785 +0 0.47163823 +0 C(ATOM 225 CG GLN A 16) 7.38222790 +0 -25.85992853 +0 1.84442609 +0 C(ATOM 226 CD GLN A 16) 7.69059877 +0 -27.27135813 +0 2.27130709 +0 O(ATOM 227 OE1 GLN A 16) 7.01872439 +0 -28.24138858 +0 1.93108715 +0 N(ATOM 228 NE2 GLN A 16) 8.74841446 +0 -27.45374475 +0 3.11631132 +0 H(ATOM 229 H GLN A 16) 4.67167637 +0 -24.10898581 +0 1.08727419 +0 H(ATOM 230 HA GLN A 16) 7.49752680 +0 -23.81710984 +0 0.00441871 +0 H(ATOM 231 1HB GLN A 16) 5.74392159 +0 -26.36614811 +0 0.49431565 +0 H(ATOM 232 2HB GLN A 16) 7.32886220 +0 -26.35122828 +0 -0.27957446 +0 H(ATOM 233 1HG GLN A 16) 6.71706396 +0 -25.40453902 +0 2.61646401 +0 H(ATOM 234 2HG GLN A 16) 8.29956066 +0 -25.22964876 +0 1.84610116 +0 H(ATOM 235 1HE2 GLN A 16) 8.99704424 +0 -28.36697081 +0 3.45904372 +0 H(ATOM 236 2HE2 GLN A 16) 9.34487276 +0 -26.70014805 +0 3.41590150 +0 N(ATOM 237 N ARG A 17) 4.92319630 +0 -23.56594756 +0 -1.77824020 +0 C(ATOM 238 CA ARG A 17) 4.41884773 +0 -23.68964157 +0 -3.14949867 +0 C(ATOM 239 C ARG A 17) 3.59949139 +0 -22.44190915 +0 -3.48366813 +0 O(ATOM 240 O ARG A 17) 3.06730744 +0 -21.75552455 +0 -2.62801813 +0 C(ATOM 241 CB ARG A 17) 3.54585472 +0 -24.94836890 +0 -3.33300143 +0 C(ATOM 242 CG ARG A 17) 2.33620236 +0 -24.98105181 +0 -2.39545060 +0 C(ATOM 243 CD ARG A 17) 1.51640960 +0 -26.25232155 +0 -2.66415473 +0 N(ATOM 244 NE ARG A 17) 0.31060740 +0 -26.28283598 +0 -1.80667645 +0 C(ATOM 245 CZ ARG A 17) -0.74843671 +0 -27.12497765 +0 -2.18798206 +0 N(ATOM 246 NH1 ARG A 17) -0.42266655 +0 -28.28167122 +0 -2.92624492 +0 N(ATOM 247 NH2 ARG A 17) -1.93819617 +0 -26.91579814 +0 -1.68669861 +0 H(ATOM 248 H ARG A 17) 4.43277209 +0 -22.92817281 +0 -1.15368776 +0 H(ATOM 249 HA ARG A 17) 5.30527437 +0 -23.76410457 +0 -3.85451873 +0 H(ATOM 250 1HB ARG A 17) 3.22175464 +0 -25.00153669 +0 -4.39159572 +0 H(ATOM 251 2HB ARG A 17) 4.19017018 +0 -25.84051037 +0 -3.15489296 +0 H(ATOM 252 1HG ARG A 17) 1.70935517 +0 -24.07791248 +0 -2.53486831 +0 H(ATOM 253 2HG ARG A 17) 2.67036542 +0 -24.96514538 +0 -1.33689129 +0 H(ATOM 254 1HD ARG A 17) 1.25659035 +0 -26.31052376 +0 -3.74758336 +0 H(ATOM 255 2HD ARG A 17) 2.12427979 +0 -27.15614737 +0 -2.41316347 +0 H(ATOM 256 HE ARG A 17) 0.00329783 +0 -25.36446169 +0 -1.46302612 +0 H(ATOM 257 1HH1 ARG A 17) -1.20881620 +0 -28.79663178 +0 -3.31471407 +0 H(ATOM 258 2HH1 ARG A 17) 0.36930207 +0 -28.26775805 +0 -3.55466233 +0 H(ATOM 259 HH2 ARG A 17) -2.66550005 +0 -27.57420199 +0 -1.92737986 +0 N(ATOM 260 N VAL A 18) 3.47042478 +0 -22.16478589 +0 -4.81217162 +0 C(ATOM 261 CA VAL A 18) 2.71400891 +0 -20.99857208 +0 -5.25606544 +0 C(ATOM 262 C VAL A 18) 1.78542534 +0 -21.49713076 +0 -6.36671922 +0 O(ATOM 263 O VAL A 18) 2.08621584 +0 -22.39855142 +0 -7.13444773 +0 C(ATOM 264 CB VAL A 18) 3.64406237 +0 -19.86130268 +0 -5.75643145 +0 C(ATOM 265 CG1 VAL A 18) 4.52727993 +0 -20.30504407 +0 -6.92243054 +0 C(ATOM 266 CG2 VAL A 18) 2.80698700 +0 -18.64244814 +0 -6.14968166 +0 H(ATOM 267 H VAL A 18) 3.98973996 +0 -22.68585099 +0 -5.52483246 +0 H(ATOM 268 HA VAL A 18) 2.09562309 +0 -20.59940969 +0 -4.39232070 +0 H(ATOM 269 HB VAL A 18) 4.30241615 +0 -19.58240135 +0 -4.89230833 +0 H(ATOM 270 1HG1 VAL A 18) 5.18007635 +0 -21.14281073 +0 -6.64422360 +0 H(ATOM 271 2HG1 VAL A 18) 3.92949227 +0 -20.63174470 +0 -7.78324144 +0 H(ATOM 272 3HG1 VAL A 18) 5.17432921 +0 -19.48780878 +0 -7.25952920 +0 H(ATOM 273 1HG2 VAL A 18) 2.08133889 +0 -18.37491760 +0 -5.36906224 +0 H(ATOM 274 2HG2 VAL A 18) 3.44085683 +0 -17.76715611 +0 -6.32379702 +0 H(ATOM 275 3HG2 VAL A 18) 2.23438816 +0 -18.81729982 +0 -7.07118592 +0 N(ATOM 276 N LEU A 19) 0.56781162 +0 -20.88805183 +0 -6.44556420 +0 C(ATOM 277 CA LEU A 19) -0.41208987 +0 -21.34817112 +0 -7.42609006 +0 C(ATOM 278 C LEU A 19) -0.31475619 +0 -20.40105360 +0 -8.63198529 +0 O(ATOM 279 O LEU A 19) -0.41859792 +0 -19.18315159 +0 -8.53481095 +0 C(ATOM 280 CB LEU A 19) -1.81825906 +0 -21.27559384 +0 -6.82196861 +0 C(ATOM 281 CG LEU A 19) -2.89511350 +0 -21.84374838 +0 -7.75937847 +0 C(ATOM 282 CD1 LEU A 19) -2.69828280 +0 -23.34336105 +0 -7.98726614 +0 C(ATOM 283 CD2 LEU A 19) -4.27147100 +0 -21.57019266 +0 -7.13885332 +0 H(ATOM 284 H LEU A 19) 0.27070126 +0 -20.17360121 +0 -5.78009960 +0 H(ATOM 285 HA LEU A 19) -0.17378771 +0 -22.41130881 +0 -7.73615970 +0 H(ATOM 286 1HB LEU A 19) -1.82720510 +0 -21.83521222 +0 -5.85905275 +0 H(ATOM 287 2HB LEU A 19) -2.06121311 +0 -20.22237218 +0 -6.56606715 +0 H(ATOM 288 HG LEU A 19) -2.83315680 +0 -21.31834021 +0 -8.74453520 +0 H(ATOM 289 1HD1 LEU A 19) -1.85233210 +0 -23.53463498 +0 -8.66012409 +0 H(ATOM 290 2HD1 LEU A 19) -2.48443455 +0 -23.87586700 +0 -7.05056119 +0 H(ATOM 291 3HD1 LEU A 19) -3.58171343 +0 -23.80554082 +0 -8.43494997 +0 H(ATOM 292 1HD2 LEU A 19) -4.40156863 +0 -20.50669804 +0 -6.90642195 +0 H(ATOM 293 2HD2 LEU A 19) -5.07674018 +0 -21.85438000 +0 -7.82435224 +0 H(ATOM 294 3HD2 LEU A 19) -4.40140857 +0 -22.12574980 +0 -6.20352347 +0 N(ATOM 295 N LEU A 20) -0.06181008 +0 -20.97376864 +0 -9.83968552 +0 C(ATOM 296 CA LEU A 20) -0.06361982 +0 -20.14351995 +0 -11.04121726 +0 C(ATOM 297 C LEU A 20) -1.07816220 +0 -20.77073899 +0 -12.00566310 +0 O(ATOM 298 O LEU A 20) -1.38903832 +0 -21.95176359 +0 -11.97059936 +0 C(ATOM 299 CB LEU A 20) 1.32001561 +0 -20.09547539 +0 -11.71548193 +0 C(ATOM 300 CG LEU A 20) 2.40652055 +0 -19.51224946 +0 -10.78968588 +0 C(ATOM 301 CD1 LEU A 20) 3.77928050 +0 -19.65949300 +0 -11.45910517 +0 C(ATOM 302 CD2 LEU A 20) 2.14257372 +0 -18.03725242 +0 -10.47155080 +0 H(ATOM 303 H LEU A 20) -0.02331282 +0 -21.98722721 +0 -9.98627406 +0 H(ATOM 304 HA LEU A 20) -0.38186223 +0 -19.08783617 +0 -10.78259790 +0 H(ATOM 305 1HB LEU A 20) 1.62068778 +0 -21.11402255 +0 -12.03601317 +0 H(ATOM 306 2HB LEU A 20) 1.24739522 +0 -19.47839433 +0 -12.63344572 +0 H(ATOM 307 HG LEU A 20) 2.40955018 +0 -20.09019278 +0 -9.83283062 +0 H(ATOM 308 1HD1 LEU A 20) 4.00596753 +0 -20.70954334 +0 -11.67931630 +0 H(ATOM 309 2HD1 LEU A 20) 3.82880936 +0 -19.10023862 +0 -12.40023458 +0 H(ATOM 310 3HD1 LEU A 20) 4.57480477 +0 -19.27629117 +0 -10.81084083 +0 H(ATOM 311 1HD2 LEU A 20) 1.22700421 +0 -17.91509837 +0 -9.87537718 +0 H(ATOM 312 2HD2 LEU A 20) 2.96186491 +0 -17.60459933 +0 -9.88974197 +0 H(ATOM 313 3HD2 LEU A 20) 2.02783345 +0 -17.43847689 +0 -11.38076820 +0 N(ATOM 314 N GLY A 21) -1.65545438 +0 -19.92512937 +0 -12.90389156 +0 C(ATOM 315 CA GLY A 21) -2.50670148 +0 -20.46102917 +0 -13.95287454 +0 C(ATOM 316 C GLY A 21) -1.82612727 +0 -20.22710565 +0 -15.29701827 +0 O(ATOM 317 O GLY A 21) -1.14484918 +0 -19.24472583 +0 -15.54323215 +0 H(ATOM 318 H GLY A 21) -1.40210244 +0 -18.94178490 +0 -12.97947075 +0 H(ATOM 319 1HA GLY A 21) -3.49552355 +0 -19.94195971 +0 -13.94316659 +0 H(ATOM 320 2HA GLY A 21) -2.71290526 +0 -21.55257226 +0 -13.78800513 +0 N(ATOM 321 N MET A 22) -2.02800279 +0 -21.20212444 +0 -16.23091864 +0 C(ATOM 322 CA MET A 22) -1.56364126 +0 -21.01897919 +0 -17.60120234 +0 C(ATOM 323 C MET A 22) -2.70606136 +0 -20.27042207 +0 -18.31400647 +0 O(ATOM 324 O MET A 22) -3.82487709 +0 -20.75419312 +0 -18.43226912 +0 C(ATOM 325 CB MET A 22) -1.32510048 +0 -22.38108458 +0 -18.26923375 +0 C(ATOM 326 CG MET A 22) -1.16059976 +0 -22.27845779 +0 -19.77656733 +0 S(ATOM 327 SD MET A 22) 0.13767022 +0 -21.10564031 +0 -20.31012520 +0 C(ATOM 328 CE MET A 22) 1.65095540 +0 -21.78391952 +0 -19.58309459 +0 H(ATOM 329 H MET A 22) -2.54300425 +0 -22.05836065 +0 -16.02462471 +0 H(ATOM 330 HA MET A 22) -0.61624886 +0 -20.40572705 +0 -17.60260366 +0 H(ATOM 331 1HB MET A 22) -2.17580651 +0 -23.06460345 +0 -18.04378213 +0 H(ATOM 332 2HB MET A 22) -0.43934030 +0 -22.86062043 +0 -17.79395306 +0 H(ATOM 333 1HG MET A 22) -0.95131447 +0 -23.27419003 +0 -20.21221918 +0 H(ATOM 334 2HG MET A 22) -2.09665057 +0 -21.92170743 +0 -20.25524223 +0 H(ATOM 335 1HE MET A 22) 2.50911246 +0 -21.26930950 +0 -20.03995628 +0 H(ATOM 336 2HE MET A 22) 1.69577039 +0 -21.61299877 +0 -18.49911328 +0 H(ATOM 337 3HE MET A 22) 1.76799278 +0 -22.85699156 +0 -19.76803929 +0 N(ATOM 338 N LYS A 23) -2.38474511 +0 -19.03629303 +0 -18.79136173 +0 C(ATOM 339 CA LYS A 23) -3.40124548 +0 -18.19993544 +0 -19.42459886 +0 C(ATOM 340 C LYS A 23) -3.70876587 +0 -18.83104764 +0 -20.79268724 +0 O(ATOM 341 O LYS A 23) -2.86614281 +0 -19.06790622 +0 -21.64766658 +0 C(ATOM 342 CB LYS A 23) -2.88687607 +0 -16.76730613 +0 -19.59552006 +0 C(ATOM 343 CG LYS A 23) -3.97792390 +0 -15.82838833 +0 -20.11418732 +0 C(ATOM 344 CD LYS A 23) -5.00956978 +1 -15.54722752 +1 -19.02009316 +1 C(ATOM 345 CE LYS A 23) -5.99793207 +1 -14.47319112 +1 -19.45867828 +1 N(ATOM 346 NZ LYS A 23) -5.24944807 +1 -13.16802198 +1 -19.63773070 +1 H(ATOM 347 H LYS A 23) -1.46919000 +0 -18.61197676 +0 -18.61275559 +0 H(ATOM 348 HA LYS A 23) -4.33791087 +0 -18.20241770 +0 -18.78564830 +0 H(ATOM 349 1HB LYS A 23) -2.00380384 +0 -16.74810025 +0 -20.26990009 +0 H(ATOM 350 2HB LYS A 23) -2.50727095 +0 -16.39550461 +0 -18.61523913 +0 H(ATOM 351 1HG LYS A 23) -3.50047215 +1 -14.88842391 +1 -20.45803353 +1 H(ATOM 352 2HG LYS A 23) -4.47268378 +0 -16.23476560 +0 -21.01865148 +0 H(ATOM 353 1HD LYS A 23) -4.50309010 +1 -15.23386208 +1 -18.07530711 +1 H(ATOM 354 2HD LYS A 23) -5.55325283 +0 -16.47724284 +0 -18.75162110 +0 H(ATOM 355 1HE LYS A 23) -6.51363773 +1 -14.73419139 +1 -20.41583409 +1 H(ATOM 356 2HE LYS A 23) -6.79493581 +1 -14.32279799 +1 -18.69283374 +1 H(ATOM 357 1HZ LYS A 23) -4.76622525 +1 -13.12869621 +1 -20.54703572 +1 H(ATOM 358 2HZ LYS A 23) -5.89921588 +1 -12.35737371 +1 -19.58963630 +1 H(ATOM 359 3HZ LYS A 23) -4.53825700 +1 -13.05748273 +1 -18.88193310 +1 N(ATOM 360 N LYS A 24) -5.02324861 +0 -19.12171495 +0 -21.02501281 +0 C(ATOM 361 CA LYS A 24) -5.42049832 +0 -19.95864165 +0 -22.15462339 +0 C(ATOM 362 C LYS A 24) -5.82843370 +0 -19.11113067 +0 -23.37090629 +0 O(ATOM 363 O LYS A 24) -5.81692483 +0 -19.59513977 +0 -24.49317247 +0 C(ATOM 364 CB LYS A 24) -6.61800415 +0 -20.82531149 +0 -21.73572326 +0 C(ATOM 365 CG LYS A 24) -6.15060946 +0 -21.94038860 +0 -20.79280004 +0 C(ATOM 366 CD LYS A 24) -7.32546164 +0 -22.57283401 +0 -20.04629432 +0 C(ATOM 367 CE LYS A 24) -8.35358111 +0 -23.12345068 +0 -21.03562852 +0 N(ATOM 368 NZ LYS A 24) -9.37466169 +0 -23.93967227 +0 -20.28398137 +0 H(ATOM 369 H LYS A 24) -5.74475599 +0 -18.97001197 +0 -20.31143400 +0 H(ATOM 370 HA LYS A 24) -4.55974079 +0 -20.61320441 +0 -22.47572225 +0 H(ATOM 371 1HB LYS A 24) -7.10997601 +0 -21.25064389 +0 -22.63473174 +0 H(ATOM 372 2HB LYS A 24) -7.40108578 +0 -20.20537153 +0 -21.24808565 +0 H(ATOM 373 1HG LYS A 24) -5.60313684 +0 -22.70844727 +0 -21.37427482 +0 H(ATOM 374 2HG LYS A 24) -5.42643194 +0 -21.53524280 +0 -20.04874409 +0 H(ATOM 375 1HD LYS A 24) -7.79948502 +0 -21.82727510 +0 -19.37367086 +0 H(ATOM 376 2HD LYS A 24) -6.95349510 +0 -23.37817543 +0 -19.37772551 +0 H(ATOM 377 1HE LYS A 24) -8.87036198 +0 -22.29897861 +0 -21.58043408 +0 H(ATOM 378 2HE LYS A 24) -7.87193838 +0 -23.76609260 +0 -21.80965759 +0 H(ATOM 379 1HZ LYS A 24) -10.10506302 +0 -24.29713354 +0 -20.91819696 +0 H(ATOM 380 2HZ LYS A 24) -8.88812524 +0 -24.77856198 +0 -19.80921081 +0 H(ATOM 381 3HZ LYS A 24) -9.83099041 +0 -23.36318359 +0 -19.56067627 +0 N(ATOM 382 N ARG A 25) -6.20609687 +0 -17.82710247 +0 -23.13319938 +0 C(ATOM 383 CA ARG A 25) -6.69114282 +0 -16.95474534 +0 -24.20146929 +0 C(ATOM 384 C ARG A 25) -6.42195188 +0 -15.51098433 +0 -23.73637967 +0 O(ATOM 385 O ARG A 25) -6.14671462 +0 -15.25637258 +0 -22.57126849 +0 C(ATOM 386 CB ARG A 25) -8.20076511 +0 -17.16357762 +0 -24.44319102 +0 C(ATOM 387 CG ARG A 25) -9.03261574 +0 -16.92636211 +0 -23.18026358 +0 C(ATOM 388 CD ARG A 25) -10.54449710 +0 -16.94257415 +0 -23.44964378 +0 N(ATOM 389 NE ARG A 25) -10.98973596 +0 -18.26617641 +0 -23.93550321 +0 C(ATOM 390 CZ ARG A 25) -12.34101268 +0 -18.63000553 +0 -23.83793826 +0 N(ATOM 391 NH1 ARG A 25) -13.27599935 +0 -17.67421883 +0 -23.45114378 +0 N(ATOM 392 NH2 ARG A 25) -12.64670557 +0 -19.88770345 +0 -24.08346575 +0 H(ATOM 393 H ARG A 25) -6.19578744 +0 -17.41538919 +0 -22.20297200 +0 H(ATOM 394 HA ARG A 25) -6.12734110 +0 -17.17150125 +0 -25.15520850 +0 H(ATOM 395 1HB ARG A 25) -8.36188859 +0 -18.19608161 +0 -24.82167288 +0 H(ATOM 396 2HB ARG A 25) -8.54148824 +0 -16.50126512 +0 -25.26512074 +0 H(ATOM 397 1HG ARG A 25) -8.77624352 +0 -17.67563443 +0 -22.40581487 +0 H(ATOM 398 2HG ARG A 25) -8.77485230 +0 -15.93578066 +0 -22.74022974 +0 H(ATOM 399 1HD ARG A 25) -11.07579568 +0 -16.63762113 +0 -22.51732912 +0 H(ATOM 400 2HD ARG A 25) -10.80598906 +0 -16.18764879 +0 -24.23081591 +0 H(ATOM 401 HE ARG A 25) -10.32689501 +0 -19.02905417 +0 -23.75268037 +0 H(ATOM 402 1HH1 ARG A 25) -14.25238673 +0 -17.82999072 +0 -23.67072391 +0 H(ATOM 403 2HH1 ARG A 25) -13.03703169 +0 -16.69442073 +0 -23.45134349 +0 H(ATOM 404 HH2 ARG A 25) -13.62209964 +0 -20.15089759 +0 -24.10889150 +0 N(ATOM 405 N GLY A 26) -6.52252189 +0 -14.54190067 +0 -24.68497452 +0 C(ATOM 406 CA GLY A 26) -6.45018628 +0 -13.14580816 +0 -24.28735831 +0 C(ATOM 407 C GLY A 26) -5.02439279 +0 -12.71352502 +0 -23.95960094 +0 O(ATOM 408 O GLY A 26) -4.02013321 +0 -13.21772769 +0 -24.43579895 +0 H(ATOM 409 H GLY A 26) -6.73699756 +0 -14.74049011 +0 -25.66839542 +0 H(ATOM 410 1HA GLY A 26) -7.13465212 +0 -12.95730208 +0 -23.41641947 +0 H(ATOM 411 2HA GLY A 26) -6.83294167 +0 -12.49663958 +0 -25.12045585 +0 N(ATOM 412 N PHE A 27) -4.93758236 +1 -11.66393947 +1 -23.07809955 +1 C(ATOM 413 CA PHE A 27) -3.69820665 +1 -10.92278425 +1 -22.85650160 +1 C(ATOM 414 C PHE A 27) -2.76351445 +1 -11.77365329 +1 -21.98404304 +1 O(ATOM 415 O PHE A 27) -3.09616707 +1 -12.23097342 +1 -20.89801355 +1 C(ATOM 416 CB PHE A 27) -4.00586322 +1 -9.62902431 +1 -22.07475642 +1 C(ATOM 417 CG PHE A 27) -2.79804974 +1 -8.75317957 +1 -21.98049294 +1 C(ATOM 418 CD1 PHE A 27) -2.30604067 +0 -8.13251533 +0 -23.12974834 +0 C(ATOM 419 CD2 PHE A 27) -2.18439264 +1 -8.52414641 +1 -20.74760266 +1 C(ATOM 420 CE1 PHE A 27) -1.21178467 +0 -7.27493552 +0 -23.04252197 +0 C(ATOM 421 CE2 PHE A 27) -1.08612154 +1 -7.67092005 +1 -20.66485670 +1 C(ATOM 422 CZ PHE A 27) -0.59951131 +1 -7.04513857 +1 -21.81131942 +1 H(ATOM 423 H PHE A 27) -5.76061805 +1 -11.33986856 +1 -22.55036179 +1 H(ATOM 424 HA PHE A 27) -3.22256369 +0 -10.66684806 +0 -23.85381252 +0 H(ATOM 425 1HB PHE A 27) -4.41665033 +1 -9.86829126 +1 -21.06751112 +1 H(ATOM 426 2HB PHE A 27) -4.83323898 +1 -9.07187511 +1 -22.57765270 +1 H(ATOM 427 HD1 PHE A 27) -2.79060201 +0 -8.29808875 +0 -24.09144996 +0 H(ATOM 428 HD2 PHE A 27) -2.57577005 +1 -8.99216370 +1 -19.84704236 +1 H(ATOM 429 HE1 PHE A 27) -0.84000190 +0 -6.77981441 +0 -23.93891066 +0 H(ATOM 430 HE2 PHE A 27) -0.61336411 +1 -7.48331769 +1 -19.69778278 +1 H(ATOM 431 HZ PHE A 27) 0.25356491 +1 -6.36697009 +1 -21.74070825 +1 N(ATOM 432 N GLY A 28) -1.50901733 +0 -12.02292083 +0 -22.46960887 +0 C(ATOM 433 CA GLY A 28) -0.63211716 +0 -12.94319243 +0 -21.75362427 +0 C(ATOM 434 C GLY A 28) -0.91492625 +0 -14.42328487 +0 -22.02528401 +0 O(ATOM 435 O GLY A 28) -0.35990643 +0 -15.27456962 +0 -21.33780855 +0 H(ATOM 436 H GLY A 28) -1.16693448 +0 -11.65159338 +0 -23.34725431 +0 H(ATOM 437 1HA GLY A 28) -0.71996516 +0 -12.78095719 +0 -20.64568215 +0 H(ATOM 438 2HA GLY A 28) 0.43264376 +0 -12.72981825 +0 -22.02733047 +0 N(ATOM 439 N ALA A 29) -1.73968161 +0 -14.77626884 +0 -23.04958829 +0 C(ATOM 440 CA ALA A 29) -2.01786382 +0 -16.19579554 +0 -23.30516415 +0 C(ATOM 441 C ALA A 29) -0.68046176 +0 -16.92407993 +0 -23.54296581 +0 O(ATOM 442 O ALA A 29) 0.18904935 +0 -16.50132596 +0 -24.28031042 +0 C(ATOM 443 CB ALA A 29) -2.87514469 +0 -16.36989057 +0 -24.55573751 +0 H(ATOM 444 H ALA A 29) -2.28718430 +0 -14.10668360 +0 -23.58744707 +0 H(ATOM 445 HA ALA A 29) -2.55479173 +0 -16.62668570 +0 -22.41215426 +0 H(ATOM 446 1HB ALA A 29) -3.74507384 +0 -15.69362656 +0 -24.54949829 +0 H(ATOM 447 2HB ALA A 29) -2.32334738 +0 -16.14587359 +0 -25.48193521 +0 H(ATOM 448 3HB ALA A 29) -3.26589574 +0 -17.39217707 +0 -24.63904403 +0 N(ATOM 449 N GLY A 30) -0.57550228 +0 -18.15270490 +0 -22.93370282 +0 C(ATOM 450 CA GLY A 30) 0.64048848 +0 -18.93847847 +0 -23.07346343 +0 C(ATOM 451 C GLY A 30) 1.67825268 +0 -18.70447491 +0 -21.97925756 +0 O(ATOM 452 O GLY A 30) 2.69583865 +0 -19.39827022 +0 -21.97270914 +0 H(ATOM 453 H GLY A 30) -1.24093612 +0 -18.45202923 +0 -22.21478572 +0 H(ATOM 454 1HA GLY A 30) 1.12979787 +0 -18.74080464 +0 -24.06530060 +0 H(ATOM 455 2HA GLY A 30) 0.37588447 +0 -20.02952404 +0 -23.07570026 +0 N(ATOM 456 N ARG A 31) 1.43517697 +0 -17.77390890 +0 -21.02215700 +0 C(ATOM 457 CA ARG A 31) 2.34270611 +0 -17.58013813 +0 -19.89308732 +0 C(ATOM 458 C ARG A 31) 1.57839652 +0 -17.96857032 +0 -18.61339910 +0 O(ATOM 459 O ARG A 31) 0.39614461 +0 -17.71656023 +0 -18.48212898 +0 C(ATOM 460 CB ARG A 31) 2.74806062 +0 -16.09967207 +0 -19.79558974 +0 C(ATOM 461 CG ARG A 31) 3.77577374 +0 -15.82621815 +0 -20.88988421 +0 C(ATOM 462 CD ARG A 31) 3.91226385 +0 -14.32445646 +0 -21.16550327 +0 N(ATOM 463 NE ARG A 31) 5.15570143 +0 -14.14469433 +0 -21.93515706 +0 C(ATOM 464 CZ ARG A 31) 5.48722169 +0 -12.97787478 +0 -22.54494640 +0 N(ATOM 465 NH1 ARG A 31) 4.73975689 +0 -11.84717628 +0 -22.40335818 +0 N(ATOM 466 NH2 ARG A 31) 6.68774152 +0 -12.91723068 +0 -23.22044244 +0 H(ATOM 467 H ARG A 31) 0.64707538 +0 -17.12581640 +0 -21.06408324 +0 H(ATOM 468 HA ARG A 31) 3.25691977 +0 -18.23352214 +0 -20.01403118 +0 H(ATOM 469 1HB ARG A 31) 1.85540374 +0 -15.44353378 +0 -19.89346449 +0 H(ATOM 470 2HB ARG A 31) 3.15789633 +0 -15.86786446 +0 -18.79192878 +0 H(ATOM 471 1HG ARG A 31) 3.48193912 +0 -16.34664975 +0 -21.82970820 +0 H(ATOM 472 2HG ARG A 31) 4.75277686 +0 -16.26762060 +0 -20.59543098 +0 H(ATOM 473 1HD ARG A 31) 3.02863484 +0 -13.95799052 +0 -21.73802563 +0 H(ATOM 474 2HD ARG A 31) 3.96361519 +0 -13.74246891 +0 -20.21413279 +0 H(ATOM 475 HE ARG A 31) 5.66360582 +0 -15.01981676 +0 -22.18184157 +0 H(ATOM 476 1HH1 ARG A 31) 5.09788671 +0 -10.96223214 +0 -22.77315149 +0 H(ATOM 477 2HH1 ARG A 31) 3.98178466 +0 -11.78810982 +0 -21.74154611 +0 H(ATOM 478 1HH2 ARG A 31) 6.84228862 +0 -12.14825465 +0 -23.89345829 +0 H(ATOM 479 2HH2 ARG A 31) 7.09044901 +0 -13.79963825 +0 -23.53052610 +0 N(ATOM 480 N TRP A 32) 2.35705447 +0 -18.58113478 +0 -17.66850315 +0 C(ATOM 481 CA TRP A 32) 1.87520429 +0 -18.82233633 +0 -16.31757585 +0 C(ATOM 482 C TRP A 32) 1.79426142 +0 -17.46749365 +0 -15.59387982 +0 O(ATOM 483 O TRP A 32) 2.61564805 +0 -16.58024171 +0 -15.76635596 +0 C(ATOM 484 CB TRP A 32) 2.87129860 +0 -19.67980505 +0 -15.50585498 +0 C(ATOM 485 CG TRP A 32) 2.97864554 +0 -21.04376597 +0 -16.04661808 +0 C(ATOM 486 CD1 TRP A 32) 3.98284409 +0 -21.52748980 +0 -16.87445997 +0 N(ATOM 487 NE1 TRP A 32) 3.74687015 +0 -22.86788375 +0 -17.16820420 +0 C(ATOM 488 CD2 TRP A 32) 2.06725015 +0 -22.12311348 +0 -15.80531926 +0 C(ATOM 489 CE2 TRP A 32) 2.57246053 +0 -23.25554856 +0 -16.52573849 +0 C(ATOM 490 CE3 TRP A 32) 0.88643443 +0 -22.24701056 +0 -15.06525629 +0 C(ATOM 491 CZ2 TRP A 32) 1.89040138 +0 -24.48111270 +0 -16.53035880 +0 C(ATOM 492 CZ3 TRP A 32) 0.21807637 +0 -23.45491032 +0 -15.08005643 +0 C(ATOM 493 CH2 TRP A 32) 0.71164517 +0 -24.55549767 +0 -15.81514334 +0 H(ATOM 494 H TRP A 32) 3.36036096 +0 -18.68933236 +0 -17.81555416 +0 H(ATOM 495 HA TRP A 32) 0.86343937 +0 -19.32100144 +0 -16.36373027 +0 H(ATOM 496 1HB TRP A 32) 2.53927551 +0 -19.71713743 +0 -14.44209333 +0 H(ATOM 497 2HB TRP A 32) 3.86751040 +0 -19.18378054 +0 -15.48374692 +0 H(ATOM 498 HD1 TRP A 32) 4.83299571 +0 -21.00640808 +0 -17.27802415 +0 H(ATOM 499 HE1 TRP A 32) 4.37953263 +0 -23.46088754 +0 -17.67598571 +0 H(ATOM 500 HE3 TRP A 32) 0.51051394 +0 -21.39815173 +0 -14.49925118 +0 H(ATOM 501 HZ2 TRP A 32) 2.28586257 +0 -25.33242340 +0 -17.07815660 +0 H(ATOM 502 HZ3 TRP A 32) -0.71739640 +0 -23.56914812 +0 -14.52832746 +0 H(ATOM 503 HH2 TRP A 32) 0.13399030 +0 -25.48067116 +0 -15.81090359 +0 N(ATOM 504 N ASN A 33) 0.79737100 +0 -17.35418800 +0 -14.65996250 +0 C(ATOM 505 CA ASN A 33) 0.58140468 +1 -16.05173394 +1 -14.04290128 +1 C(ATOM 506 C ASN A 33) -0.24586942 +1 -16.25232057 +1 -12.76695354 +1 O(ATOM 507 O ASN A 33) -0.87482958 +0 -17.26887708 +0 -12.53871224 +0 C(ATOM 508 CB ASN A 33) -0.20047055 +1 -15.13151275 +1 -15.00192957 +1 C(ATOM 509 CG ASN A 33) 0.19013003 +1 -13.70285146 +1 -14.76124212 +1 O(ATOM 510 OD1 ASN A 33) 0.68806049 +1 -13.36171163 +1 -13.68346675 +1 N(ATOM 511 ND2 ASN A 33) -0.02407908 +1 -12.79213766 +1 -15.74195162 +1 H(ATOM 512 H ASN A 33) -0.02098126 +0 -17.97660032 +0 -14.67671275 +0 H(ATOM 513 HA ASN A 33) 1.58185503 +1 -15.59105984 +1 -13.78926406 +1 H(ATOM 514 1HB ASN A 33) -1.30108345 +1 -15.24781421 +1 -14.87435313 +1 H(ATOM 515 2HB ASN A 33) -0.00873648 +1 -15.42336142 +1 -16.06976526 +1 H(ATOM 516 1HD2 ASN A 33) 0.14222295 +1 -11.81711339 +1 -15.55181022 +1 H(ATOM 517 2HD2 ASN A 33) -0.40163538 +1 -13.03661474 +1 -16.64134066 +1 N(ATOM 518 N GLY A 34) -0.21395007 +1 -15.20587750 +1 -11.86563857 +1 C(ATOM 519 CA GLY A 34) -1.28774486 +0 -15.15830894 +0 -10.88632924 +0 C(ATOM 520 C GLY A 34) -2.60725820 +0 -14.79926811 +0 -11.57523921 +0 O(ATOM 521 O GLY A 34) -2.70042869 +1 -14.63121317 +1 -12.78296815 +1 H(ATOM 522 H GLY A 34) 0.14516358 +1 -14.29773637 +1 -12.20192179 +1 H(ATOM 523 1HA GLY A 34) -1.04241405 +0 -14.41715861 +0 -10.08690332 +0 H(ATOM 524 2HA GLY A 34) -1.39991876 +0 -16.15461984 +0 -10.38184129 +0 N(ATOM 525 N PHE A 35) -3.68198147 +0 -14.75605298 +0 -10.73285350 +0 C(ATOM 526 CA PHE A 35) -5.03280005 +0 -14.63014122 +0 -11.26149444 +0 C(ATOM 527 C PHE A 35) -5.43870575 +1 -13.15819945 +1 -11.19726023 +1 O(ATOM 528 O PHE A 35) -4.96142196 +1 -12.37884755 +1 -10.37970334 +1 C(ATOM 529 CB PHE A 35) -6.02394182 +0 -15.46694043 +0 -10.42476487 +0 C(ATOM 530 CG PHE A 35) -5.58150458 +0 -16.89732596 +0 -10.43637678 +0 C(ATOM 531 CD1 PHE A 35) -5.87328779 +0 -17.69818846 +0 -11.54182510 +0 C(ATOM 532 CD2 PHE A 35) -4.83149629 +0 -17.41514089 +0 -9.37933812 +0 C(ATOM 533 CE1 PHE A 35) -5.41567565 +0 -19.01188614 +0 -11.59048711 +0 C(ATOM 534 CE2 PHE A 35) -4.36306635 +0 -18.72567281 +0 -9.43831369 +0 C(ATOM 535 CZ PHE A 35) -4.65383165 +0 -19.52500028 +0 -10.54172768 +0 H(ATOM 536 H PHE A 35) -3.55867323 +0 -14.69456592 +0 -9.71980177 +0 H(ATOM 537 HA PHE A 35) -5.05851294 +0 -14.98463923 +0 -12.33699902 +0 H(ATOM 538 1HB PHE A 35) -7.04175426 +0 -15.35973356 +0 -10.86475398 +0 H(ATOM 539 2HB PHE A 35) -6.09683459 +0 -15.06763359 +0 -9.39322716 +0 H(ATOM 540 HD1 PHE A 35) -6.44108358 +0 -17.27774100 +0 -12.37057883 +0 H(ATOM 541 HD2 PHE A 35) -4.59570026 +0 -16.79631319 +0 -8.51457980 +0 H(ATOM 542 HE1 PHE A 35) -5.64675369 +0 -19.63738133 +0 -12.45194070 +0 H(ATOM 543 HE2 PHE A 35) -3.75795737 +0 -19.11459204 +0 -8.61704883 +0 H(ATOM 544 HZ PHE A 35) -4.27764470 +0 -20.54517766 +0 -10.59029857 +0 N(ATOM 545 N GLY A 36) -6.37823450 +1 -12.71493792 +1 -12.07598134 +1 C(ATOM 546 CA GLY A 36) -6.65600988 +1 -11.28374574 +1 -12.03772694 +1 C(ATOM 547 C GLY A 36) -7.32613720 +1 -10.80315451 +1 -13.31393647 +1 O(ATOM 548 O GLY A 36) -7.78076330 +1 -11.54187927 +1 -14.16786684 +1 H(ATOM 549 H GLY A 36) -6.75131780 +1 -13.25050607 +1 -12.86211897 +1 H(ATOM 550 1HA GLY A 36) -5.69031878 +1 -10.72404190 +1 -11.87194501 +1 H(ATOM 551 2HA GLY A 36) -7.29898071 +1 -11.05078613 +1 -11.15183091 +1 N(ATOM 552 N GLY A 37) -7.44824687 +1 -9.43567991 +1 -13.35171678 +1 C(ATOM 553 CA GLY A 37) -7.90225007 +1 -8.79259544 +1 -14.57792694 +1 C(ATOM 554 C GLY A 37) -8.29550884 +1 -7.35788601 +1 -14.27989824 +1 O(ATOM 555 O GLY A 37) -7.76339485 +1 -6.70208937 +1 -13.38744785 +1 H(ATOM 556 H GLY A 37) -6.93325546 +1 -8.84204092 +1 -12.70161518 +1 H(ATOM 557 1HA GLY A 37) -8.73050843 +1 -9.38212565 +1 -15.04506347 +1 H(ATOM 558 2HA GLY A 37) -7.07799255 +1 -8.76818715 +1 -15.34480445 +1 N(ATOM 559 N LYS A 38) -9.19113239 +1 -6.81373374 +1 -15.14241814 +1 C(ATOM 560 CA LYS A 38) -9.54779218 +0 -5.40328804 +0 -15.03995793 +0 C(ATOM 561 C LYS A 38) -10.47224071 +0 -5.20811241 +0 -13.82804487 +0 O(ATOM 562 O LYS A 38) -11.43776948 +0 -5.91461726 +0 -13.57908828 +0 C(ATOM 563 CB LYS A 38) -10.34926619 +0 -4.94857540 +0 -16.27168581 +0 C(ATOM 564 CG LYS A 38) -9.49652037 +0 -5.00001750 +0 -17.54049399 +0 C(ATOM 565 CD LYS A 38) -10.32900611 +0 -4.59268875 +0 -18.76014894 +0 C(ATOM 566 CE LYS A 38) -9.39824818 +0 -4.15990270 +0 -19.90360780 +0 N(ATOM 567 NZ LYS A 38) -10.21214869 +0 -3.77804155 +0 -21.09043255 +0 H(ATOM 568 H LYS A 38) -9.70599802 +1 -7.38451629 +1 -15.82778229 +1 H(ATOM 569 HA LYS A 38) -8.60485578 +0 -4.79043191 +0 -14.93170182 +0 H(ATOM 570 1HB LYS A 38) -10.72467249 +0 -3.91965641 +0 -16.10710417 +0 H(ATOM 571 2HB LYS A 38) -11.25654076 +0 -5.58063277 +0 -16.39661745 +0 H(ATOM 572 1HG LYS A 38) -8.61218109 +0 -4.34168763 +0 -17.43347928 +0 H(ATOM 573 2HG LYS A 38) -9.08660102 +1 -6.01921172 +1 -17.69636812 +1 H(ATOM 574 1HD LYS A 38) -11.02438897 +0 -3.77103582 +0 -18.50776234 +0 H(ATOM 575 2HD LYS A 38) -10.97458344 +0 -5.43008714 +0 -19.08705654 +0 H(ATOM 576 1HE LYS A 38) -8.74973755 +0 -3.32043311 +0 -19.56755356 +0 H(ATOM 577 2HE LYS A 38) -8.72356804 +1 -4.99447417 +1 -20.19302009 +1 H(ATOM 578 1HZ LYS A 38) -10.78851868 +0 -2.97785830 +0 -20.84548867 +0 H(ATOM 579 2HZ LYS A 38) -9.60115490 +0 -3.48564108 +0 -21.84778179 +0 N(ATOM 580 N VAL A 39) -10.18465246 +0 -4.12810625 +0 -13.04421751 +0 C(ATOM 581 CA VAL A 39) -11.11866931 +0 -3.73798821 +0 -11.98834414 +0 C(ATOM 582 C VAL A 39) -12.29324016 +0 -3.01361367 +0 -12.67329538 +0 O(ATOM 583 O VAL A 39) -12.11583466 +0 -2.15661894 +0 -13.53765780 +0 C(ATOM 584 CB VAL A 39) -10.43693137 +0 -2.79437193 +0 -10.97171467 +0 C(ATOM 585 CG1 VAL A 39) -11.45428032 +0 -2.33336215 +0 -9.93016360 +0 C(ATOM 586 CG2 VAL A 39) -9.28120403 +0 -3.55078096 +0 -10.30988821 +0 H(ATOM 587 H VAL A 39) -9.40022467 +0 -3.51325647 +0 -13.23580515 +0 H(ATOM 588 HA VAL A 39) -11.49064082 +0 -4.67151178 +0 -11.46147183 +0 H(ATOM 589 HB VAL A 39) -10.03925159 +0 -1.89955880 +0 -11.51139405 +0 H(ATOM 590 1HG1 VAL A 39) -12.29177721 +0 -1.77909363 +0 -10.37916925 +0 H(ATOM 591 2HG1 VAL A 39) -11.89713365 +0 -3.17499891 +0 -9.38045849 +0 H(ATOM 592 3HG1 VAL A 39) -11.00108257 +0 -1.66134988 +0 -9.19339973 +0 H(ATOM 593 1HG2 VAL A 39) -8.49076072 +0 -3.78567884 +0 -11.03353431 +0 H(ATOM 594 2HG2 VAL A 39) -8.82987203 +0 -2.97066400 +0 -9.50084329 +0 H(ATOM 595 3HG2 VAL A 39) -9.62935211 +0 -4.50621700 +0 -9.89072172 +0 N(ATOM 596 N GLN A 40) -13.52432603 +0 -3.41967625 +0 -12.28176415 +0 C(ATOM 597 CA GLN A 40) -14.73798660 +0 -2.92231013 +0 -12.90783423 +0 C(ATOM 598 C GLN A 40) -15.28011184 +0 -1.71642306 +0 -12.12498516 +0 O(ATOM 599 O GLN A 40) -15.03796274 +0 -1.49931563 +0 -10.95172092 +0 C(ATOM 600 CB GLN A 40) -15.84064757 +0 -4.00251291 +0 -12.85438909 +0 C(ATOM 601 CG GLN A 40) -15.45946110 +0 -5.18712888 +0 -13.73416321 +0 C(ATOM 602 CD GLN A 40) -16.52354652 +0 -6.24938064 +0 -13.69638031 +0 O(ATOM 603 OE1 GLN A 40) -17.56861817 +0 -6.15604071 +0 -13.06727885 +0 N(ATOM 604 NE2 GLN A 40) -16.28688285 +0 -7.36070386 +0 -14.47031222 +0 H(ATOM 605 H GLN A 40) -13.64255276 +0 -4.14104887 +0 -11.52980246 +0 H(ATOM 606 HA GLN A 40) -14.52336389 +0 -2.62360140 +0 -13.97363723 +0 H(ATOM 607 1HB GLN A 40) -16.00474770 +0 -4.33966566 +0 -11.80746852 +0 H(ATOM 608 2HB GLN A 40) -16.81306976 +0 -3.57708992 +0 -13.18182993 +0 H(ATOM 609 1HG GLN A 40) -14.48123478 +0 -5.61320332 +0 -13.40597189 +0 H(ATOM 610 2HG GLN A 40) -15.29292095 +0 -4.85641980 +0 -14.78507423 +0 H(ATOM 611 1HE2 GLN A 40) -15.39334885 +0 -7.50867975 +0 -14.90378451 +0 H(ATOM 612 2HE2 GLN A 40) -16.92302245 +0 -8.13814852 +0 -14.47813768 +0 N(ATOM 613 N GLU A 41) -16.09571617 +0 -0.89309198 +0 -12.86066654 +0 C(ATOM 614 CA GLU A 41) -16.82535981 +0 0.18169612 +0 -12.19667437 +0 C(ATOM 615 C GLU A 41) -17.77188513 +0 -0.45486761 +0 -11.15923083 +0 O(ATOM 616 O GLU A 41) -18.43409442 +0 -1.45092907 +0 -11.41560720 +0 C(ATOM 617 CB GLU A 41) -17.68185554 +0 0.96936484 +0 -13.19943925 +0 C(ATOM 618 CG GLU A 41) -16.79962385 +0 1.61072907 +0 -14.26766923 +0 C(ATOM 619 CD GLU A 41) -17.62179656 +0 2.38999533 +0 -15.23332407 +0 O(ATOM 620 OE1 GLU A 41) -18.82695713 +0 2.48915399 +0 -15.28590668 +0 O(ATOM 621 OE2 GLU A 41) -16.84738691 +0 3.01913135 +0 -16.13641701 +0 H(ATOM 622 H GLU A 41) -16.37197719 +0 -1.12839339 +0 -13.81788954 +0 H(ATOM 623 HA GLU A 41) -16.08634553 +0 0.86824115 +0 -11.69022553 +0 H(ATOM 624 1HB GLU A 41) -18.25981583 +0 1.75338649 +0 -12.65830287 +0 H(ATOM 625 2HB GLU A 41) -18.45002880 +0 0.31230911 +0 -13.66133010 +0 H(ATOM 626 1HG GLU A 41) -16.02827323 +0 2.27120920 +0 -13.79772706 +0 H(ATOM 627 2HG GLU A 41) -16.19334497 +0 0.84649433 +0 -14.81604901 +0 H(ATOM 628 HE2 GLU A 41) -17.34514678 +0 3.56096434 +0 -16.82008446 +0 N(ATOM 629 N GLY A 42) -17.85103355 +0 0.17690425 +0 -9.95323294 +0 C(ATOM 630 CA GLY A 42) -18.72836846 +0 -0.33109925 +0 -8.91119579 +0 C(ATOM 631 C GLY A 42) -18.09119930 +0 -1.36380088 +0 -7.98824436 +0 O(ATOM 632 O GLY A 42) -18.74976597 +0 -1.79387945 +0 -7.04468489 +0 H(ATOM 633 H GLY A 42) -17.23991599 +0 0.95485989 +0 -9.70463124 +0 H(ATOM 634 1HA GLY A 42) -19.65965058 +0 -0.77520054 +0 -9.35462800 +0 H(ATOM 635 2HA GLY A 42) -19.08047248 +0 0.52681433 +0 -8.27536159 +0 N(ATOM 636 N GLU A 43) -16.81447422 +0 -1.78367313 +0 -8.19832108 +0 C(ATOM 637 CA GLU A 43) -16.18466075 +0 -2.69641324 +0 -7.24105910 +0 C(ATOM 638 C GLU A 43) -14.86336196 +0 -2.04872572 +0 -6.80038842 +0 O(ATOM 639 O GLU A 43) -14.25032617 +0 -1.26200393 +0 -7.50322467 +0 C(ATOM 640 CB GLU A 43) -15.92567830 +0 -4.08885947 +0 -7.85303250 +0 C(ATOM 641 CG GLU A 43) -14.78067466 +0 -4.09691815 +0 -8.85564515 +0 C(ATOM 642 CD GLU A 43) -14.60029246 +0 -5.42879544 +0 -9.54997880 +0 O(ATOM 643 OE1 GLU A 43) -15.25954298 +0 -6.43328570 +0 -9.21791105 +0 O(ATOM 644 OE2 GLU A 43) -13.72287286 +0 -5.46756247 +0 -10.45557794 +0 H(ATOM 645 H GLU A 43) -16.23578895 +0 -1.46777249 +0 -8.97663885 +0 H(ATOM 646 HA GLU A 43) -16.86526752 +0 -2.82067667 +0 -6.34511072 +0 H(ATOM 647 1HB GLU A 43) -16.85977160 +0 -4.45501306 +0 -8.32888655 +0 H(ATOM 648 2HB GLU A 43) -15.71686312 +0 -4.80891059 +0 -7.03298614 +0 H(ATOM 649 1HG GLU A 43) -14.91010934 +0 -3.29651180 +0 -9.61725711 +0 H(ATOM 650 2HG GLU A 43) -13.81883900 +0 -3.84216795 +0 -8.35182765 +0 N(ATOM 651 N THR A 44) -14.42428757 +0 -2.37052043 +0 -5.54473749 +0 C(ATOM 652 CA THR A 44) -13.10277970 +0 -1.94666886 +0 -5.11543690 +0 C(ATOM 653 C THR A 44) -12.04833700 +0 -2.83645397 +0 -5.78557350 +0 O(ATOM 654 O THR A 44) -12.31578300 +0 -3.89350922 +0 -6.32528664 +0 C(ATOM 655 CB THR A 44) -12.92239132 +0 -2.09667996 +0 -3.57841290 +0 O(ATOM 656 OG1 THR A 44) -12.97852947 +0 -3.49050919 +0 -3.34762132 +0 C(ATOM 657 CG2 THR A 44) -14.00580336 +0 -1.36677479 +0 -2.80609238 +0 H(ATOM 658 H THR A 44) -14.90309277 +0 -3.05047623 +0 -4.95174121 +0 H(ATOM 659 HA THR A 44) -12.93636501 +0 -0.86904542 +0 -5.40958004 +0 H(ATOM 660 HB THR A 44) -11.90238872 +0 -1.75058870 +0 -3.27779267 +0 H(ATOM 661 HG1 THR A 44) -12.92261728 +0 -3.69705930 +0 -2.37251250 +0 H(ATOM 662 1HG2 THR A 44) -13.80719600 +0 -1.37482182 +0 -1.72636895 +0 H(ATOM 663 2HG2 THR A 44) -14.08165647 +0 -0.31528518 +0 -3.11593762 +0 H(ATOM 664 3HG2 THR A 44) -14.99556085 +0 -1.82227684 +0 -2.95257489 +0 N(ATOM 665 N ILE A 45) -10.75853342 +0 -2.36122170 +0 -5.74875502 +0 C(ATOM 666 CA ILE A 45) -9.67515775 +0 -3.13154759 +0 -6.36068468 +0 C(ATOM 667 C ILE A 45) -9.60786306 +0 -4.52409217 +0 -5.71461626 +0 O(ATOM 668 O ILE A 45) -9.58483723 +0 -5.54351508 +0 -6.38831633 +0 C(ATOM 669 CB ILE A 45) -8.32568618 +0 -2.38538438 +0 -6.18217216 +0 C(ATOM 670 CG1 ILE A 45) -8.39869807 +0 -1.02583844 +0 -6.89953684 +0 C(ATOM 671 CG2 ILE A 45) -7.18213689 +0 -3.23340614 +0 -6.74018371 +0 C(ATOM 672 CD1 ILE A 45) -7.13496620 +0 -0.19620407 +0 -6.68798817 +0 H(ATOM 673 H ILE A 45) -10.48528745 +0 -1.61357647 +0 -5.11139005 +0 H(ATOM 674 HA ILE A 45) -9.90532858 +0 -3.28114867 +0 -7.45586715 +0 H(ATOM 675 HB ILE A 45) -8.14733645 +0 -2.21175116 +0 -5.08835952 +0 H(ATOM 676 1HG1 ILE A 45) -8.57785263 +0 -1.17717041 +0 -7.98123717 +0 H(ATOM 677 2HG1 ILE A 45) -9.27447609 +0 -0.44693069 +0 -6.53672293 +0 H(ATOM 678 1HG2 ILE A 45) -7.18372860 +0 -4.24952095 +0 -6.32609596 +0 H(ATOM 679 2HG2 ILE A 45) -7.23322154 +0 -3.31152267 +0 -7.83219399 +0 H(ATOM 680 3HG2 ILE A 45) -6.21353509 +0 -2.78282268 +0 -6.48436552 +0 H(ATOM 681 1HD1 ILE A 45) -7.26364767 +0 0.81949232 +0 -7.08797687 +0 H(ATOM 682 2HD1 ILE A 45) -6.89259523 +0 -0.08958566 +0 -5.62272299 +0 H(ATOM 683 3HD1 ILE A 45) -6.27071663 +0 -0.63970015 +0 -7.19089185 +0 N(ATOM 684 N GLU A 46) -9.55722824 +0 -4.58588604 +0 -4.35170020 +0 C(ATOM 685 CA GLU A 46) -9.49624757 +0 -5.88577334 +0 -3.68793229 +0 C(ATOM 686 C GLU A 46) -10.72034511 +0 -6.75838985 +0 -4.01965183 +0 O(ATOM 687 O GLU A 46) -10.58811616 +0 -7.96847273 +0 -4.15165692 +0 C(ATOM 688 CB GLU A 46) -9.38780605 +0 -5.66871472 +0 -2.17300085 +0 C(ATOM 689 CG GLU A 46) -9.21613782 +0 -6.99658707 +0 -1.45015037 +0 C(ATOM 690 CD GLU A 46) -9.23821470 +0 -6.76241388 +0 0.05518483 +0 O(ATOM 691 OE1 GLU A 46) -8.91394755 +0 -5.66792936 +0 0.52481289 +0 O(ATOM 692 OE2 GLU A 46) -9.65326641 +0 -7.71909866 +0 0.76482845 +0 H(ATOM 693 H GLU A 46) -9.67101002 +0 -3.75640019 +0 -3.75107098 +0 H(ATOM 694 HA GLU A 46) -8.59223208 +0 -6.44742134 +0 -4.06975033 +0 H(ATOM 695 1HB GLU A 46) -8.51858451 +0 -5.00385962 +0 -1.95146556 +0 H(ATOM 696 2HB GLU A 46) -10.27499971 +0 -5.12486046 +0 -1.78221585 +0 H(ATOM 697 1HG GLU A 46) -8.26448247 +0 -7.49106670 +0 -1.72970776 +0 H(ATOM 698 2HG GLU A 46) -10.00867751 +0 -7.71226252 +0 -1.74065709 +0 N(ATOM 699 N ASP A 47) -11.94767840 +0 -6.16784297 +0 -4.13352050 +0 C(ATOM 700 CA ASP A 47) -13.09908643 +0 -6.97893419 +0 -4.52774419 +0 C(ATOM 701 C ASP A 47) -12.96337689 +0 -7.44687159 +0 -5.99490106 +0 O(ATOM 702 O ASP A 47) -13.30295779 +0 -8.60239937 +0 -6.25461600 +0 C(ATOM 703 CB ASP A 47) -14.39714440 +0 -6.20815266 +0 -4.29554968 +0 C(ATOM 704 CG ASP A 47) -14.84664202 +0 -6.26461760 +0 -2.86848933 +0 O(ATOM 705 OD1 ASP A 47) -14.20294326 +0 -7.19928359 +0 -2.14989008 +0 O(ATOM 706 OD2 ASP A 47) -15.71138601 +0 -5.59494242 +0 -2.34357772 +0 H(ATOM 707 H ASP A 47) -12.07909091 +0 -5.15225643 +0 -4.12370424 +0 H(ATOM 708 HA ASP A 47) -13.09332019 +0 -7.93472025 +0 -3.91239221 +0 H(ATOM 709 1HB ASP A 47) -14.29382238 +0 -5.13235069 +0 -4.61642122 +0 H(ATOM 710 2HB ASP A 47) -15.22312692 +0 -6.58624391 +0 -4.95438216 +0 H(ATOM 711 HD1 ASP A 47) -14.56261119 +0 -7.30825146 +0 -1.21418889 +0 N(ATOM 712 N GLY A 48) -12.42471364 +0 -6.63059352 +0 -6.92726210 +0 C(ATOM 713 CA GLY A 48) -12.12838233 +0 -7.13984091 +0 -8.26206528 +0 C(ATOM 714 C GLY A 48) -11.13561795 +0 -8.29794032 +0 -8.20057125 +0 O(ATOM 715 O GLY A 48) -11.28516506 +0 -9.28329569 +0 -8.90472140 +0 H(ATOM 716 H GLY A 48) -12.08496072 +0 -5.69081455 +0 -6.70212191 +0 H(ATOM 717 1HA GLY A 48) -11.73264222 +0 -6.31808243 +0 -8.91643279 +0 H(ATOM 718 2HA GLY A 48) -13.07294012 +0 -7.49213596 +0 -8.76442622 +0 N(ATOM 719 N ALA A 49) -10.06569962 +0 -8.16698445 +0 -7.35371072 +0 C(ATOM 720 CA ALA A 49) -9.07428920 +0 -9.23272360 +0 -7.19633971 +0 C(ATOM 721 C ALA A 49) -9.74433186 +0 -10.55321798 +0 -6.76939837 +0 O(ATOM 722 O ALA A 49) -9.46354009 +0 -11.60039370 +0 -7.33007924 +0 C(ATOM 723 CB ALA A 49) -8.03364626 +0 -8.83822974 +0 -6.15041676 +0 H(ATOM 724 H ALA A 49) -10.02995207 +0 -7.40041307 +0 -6.67598109 +0 H(ATOM 725 HA ALA A 49) -8.58795941 +0 -9.41636336 +0 -8.19950368 +0 H(ATOM 726 1HB ALA A 49) -7.53770377 +0 -7.89002326 +0 -6.40605995 +0 H(ATOM 727 2HB ALA A 49) -8.48355544 +0 -8.69766958 +0 -5.15303303 +0 H(ATOM 728 3HB ALA A 49) -7.25599944 +0 -9.60615281 +0 -6.05015301 +0 N(ATOM 729 N ARG A 50) -10.63111668 +0 -10.50554706 +0 -5.72823738 +0 C(ATOM 730 CA ARG A 50) -11.36553010 +0 -11.70674797 +0 -5.33570260 +0 C(ATOM 731 C ARG A 50) -12.23801587 +0 -12.23140359 +0 -6.49239197 +0 O(ATOM 732 O ARG A 50) -12.26443178 +0 -13.43303360 +0 -6.75289365 +0 C(ATOM 733 CB ARG A 50) -12.33899246 +0 -11.41130447 +0 -4.19039351 +0 C(ATOM 734 CG ARG A 50) -11.62561165 +0 -11.27954334 +0 -2.85060638 +0 C(ATOM 735 CD ARG A 50) -12.70124336 +0 -11.33799368 +0 -1.75123120 +0 N(ATOM 736 NE ARG A 50) -12.12206106 +0 -11.58431141 +0 -0.42602971 +0 C(ATOM 737 CZ ARG A 50) -11.39307704 +0 -10.59981006 +0 0.18522570 +0 N(ATOM 738 NH1 ARG A 50) -11.45504337 +0 -9.30560921 +0 -0.23317239 +0 N(ATOM 739 NH2 ARG A 50) -10.59898664 +0 -10.91063047 +0 1.25559259 +0 H(ATOM 740 H ARG A 50) -10.94262504 +0 -9.61503086 +0 -5.33271919 +0 H(ATOM 741 HA ARG A 50) -10.63070878 +0 -12.51687440 +0 -5.05843226 +0 H(ATOM 742 1HB ARG A 50) -13.08997498 +0 -12.23563267 +0 -4.13720267 +0 H(ATOM 743 2HB ARG A 50) -12.93400468 +0 -10.49654052 +0 -4.40849098 +0 H(ATOM 744 1HG ARG A 50) -10.89265529 +0 -12.10152130 +0 -2.71185920 +0 H(ATOM 745 2HG ARG A 50) -11.03605907 +0 -10.34234514 +0 -2.81432544 +0 H(ATOM 746 1HD ARG A 50) -13.32501354 +0 -10.41266762 +0 -1.74654464 +0 H(ATOM 747 2HD ARG A 50) -13.41890206 +0 -12.17467934 +0 -1.95271726 +0 H(ATOM 748 HE ARG A 50) -11.99741448 +0 -12.56701318 +0 -0.16654978 +0 H(ATOM 749 1HH1 ARG A 50) -10.78688953 +0 -8.59891679 +0 0.19952105 +0 H(ATOM 750 2HH1 ARG A 50) -11.81931462 +0 -9.06080225 +0 -1.13630251 +0 H(ATOM 751 1HH2 ARG A 50) -10.12148257 +0 -10.15618656 +0 1.75386684 +0 H(ATOM 752 2HH2 ARG A 50) -10.76026332 +0 -11.74747221 +0 1.80624167 +0 N(ATOM 753 N ARG A 51) -13.00858913 +0 -11.32467126 +0 -7.14144417 +0 C(ATOM 754 CA ARG A 51) -13.91014557 +0 -11.72369801 +0 -8.22682152 +0 C(ATOM 755 C ARG A 51) -13.12042030 +0 -12.49577975 +0 -9.29323320 +0 O(ATOM 756 O ARG A 51) -13.57163888 +0 -13.51498383 +0 -9.79773830 +0 C(ATOM 757 CB ARG A 51) -14.53270804 +0 -10.46401932 +0 -8.84888709 +0 C(ATOM 758 CG ARG A 51) -15.47908085 +0 -10.82848663 +0 -9.98945885 +0 C(ATOM 759 CD ARG A 51) -16.13734874 +0 -9.58493693 +0 -10.61595015 +0 N(ATOM 760 NE ARG A 51) -15.20371165 +0 -8.50036484 +0 -10.92999507 +0 C(ATOM 761 CZ ARG A 51) -14.22370616 +0 -8.61547569 +0 -11.86025335 +0 N(ATOM 762 NH1 ARG A 51) -14.08134293 +0 -9.73049798 +0 -12.66932820 +0 N(ATOM 763 NH2 ARG A 51) -13.34081197 +0 -7.59808720 +0 -12.02292854 +0 H(ATOM 764 H ARG A 51) -12.88300483 +0 -10.31546069 +0 -7.00511996 +0 H(ATOM 765 HA ARG A 51) -14.70826832 +0 -12.41157550 +0 -7.81492214 +0 H(ATOM 766 1HB ARG A 51) -13.73206283 +0 -9.78066027 +0 -9.20977140 +0 H(ATOM 767 2HB ARG A 51) -15.07640085 +0 -9.89122826 +0 -8.06490095 +0 H(ATOM 768 1HG ARG A 51) -14.94290451 +0 -11.41214147 +0 -10.76295816 +0 H(ATOM 769 2HG ARG A 51) -16.28177958 +0 -11.50216645 +0 -9.61615483 +0 H(ATOM 770 1HD ARG A 51) -16.70751669 +0 -9.88522544 +0 -11.52779628 +0 H(ATOM 771 2HD ARG A 51) -16.89115767 +0 -9.15923311 +0 -9.90425309 +0 H(ATOM 772 HE ARG A 51) -15.16646632 +0 -7.68132819 +0 -10.22558805 +0 H(ATOM 773 1HH1 ARG A 51) -13.38923241 +0 -9.67376389 +0 -13.40932368 +0 H(ATOM 774 2HH1 ARG A 51) -14.86133320 +0 -10.35646575 +0 -12.81991954 +0 H(ATOM 775 1HH2 ARG A 51) -12.56965013 +0 -7.68962338 +0 -12.67256835 +0 H(ATOM 776 2HH2 ARG A 51) -13.35531984 +0 -6.76376648 +0 -11.38579993 +0 N(ATOM 777 N GLU A 52) -11.90232672 +0 -11.99194427 +0 -9.64168190 +0 C(ATOM 778 CA GLU A 52) -11.11469357 +0 -12.59375575 +0 -10.71155077 +0 C(ATOM 779 C GLU A 52) -10.54659943 +0 -13.94063934 +0 -10.24238598 +0 O(ATOM 780 O GLU A 52) -10.59150157 +0 -14.89320445 +0 -11.00418063 +0 C(ATOM 781 CB GLU A 52) -9.96601853 +0 -11.66398247 +0 -11.12358915 +0 C(ATOM 782 CG GLU A 52) -10.49721620 +0 -10.50365159 +0 -11.95278688 +0 C(ATOM 783 CD GLU A 52) -10.99718702 +0 -10.93091890 +0 -13.28840881 +0 O(ATOM 784 OE1 GLU A 52) -10.79529266 +0 -12.19676921 +0 -13.59709693 +0 O(ATOM 785 OE2 GLU A 52) -11.55414427 +0 -10.15954256 +0 -14.06434818 +0 H(ATOM 786 H GLU A 52) -11.51375287 +0 -11.15066318 +0 -9.20367394 +0 H(ATOM 787 HA GLU A 52) -11.78600018 +0 -12.81792533 +0 -11.59366810 +0 H(ATOM 788 1HB GLU A 52) -9.21770991 +0 -12.25077834 +0 -11.70376751 +0 H(ATOM 789 2HB GLU A 52) -9.43989989 +0 -11.27980410 +0 -10.22172434 +0 H(ATOM 790 1HG GLU A 52) -11.31373968 +0 -9.95758694 +0 -11.40910339 +0 H(ATOM 791 2HG GLU A 52) -9.72906481 +0 -9.70127924 +0 -12.08476193 +0 H(ATOM 792 HE1 GLU A 52) -11.27150211 +0 -12.53979467 +0 -14.47648898 +0 N(ATOM 793 N LEU A 53) -10.00032244 +0 -14.00702782 +0 -8.99314587 +0 C(ATOM 794 CA LEU A 53) -9.57247932 +0 -15.29732313 +0 -8.44262015 +0 C(ATOM 795 C LEU A 53) -10.71591077 +0 -16.32118036 +0 -8.56574175 +0 O(ATOM 796 O LEU A 53) -10.50133727 +0 -17.45581020 +0 -8.98445401 +0 C(ATOM 797 CB LEU A 53) -9.15162442 +0 -15.10023893 +0 -6.97995191 +0 C(ATOM 798 CG LEU A 53) -8.63590255 +0 -16.38781606 +0 -6.31407497 +0 C(ATOM 799 CD1 LEU A 53) -7.36728480 +0 -16.90409112 +0 -6.99789537 +0 C(ATOM 800 CD2 LEU A 53) -8.35772568 +0 -16.08858178 +0 -4.83420889 +0 H(ATOM 801 H LEU A 53) -10.12752808 +0 -13.23559339 +0 -8.32713961 +0 H(ATOM 802 HA LEU A 53) -8.71000621 +0 -15.68151924 +0 -9.05966245 +0 H(ATOM 803 1HB LEU A 53) -8.36901255 +0 -14.31227581 +0 -6.93248429 +0 H(ATOM 804 2HB LEU A 53) -10.00374760 +0 -14.69757969 +0 -6.38800501 +0 H(ATOM 805 HG LEU A 53) -9.43229520 +0 -17.17302210 +0 -6.37715367 +0 H(ATOM 806 1HD1 LEU A 53) -7.56235967 +0 -17.22886107 +0 -8.02721621 +0 H(ATOM 807 2HD1 LEU A 53) -6.58274708 +0 -16.14096029 +0 -7.02853025 +0 H(ATOM 808 3HD1 LEU A 53) -6.95969262 +0 -17.77466409 +0 -6.46979657 +0 H(ATOM 809 1HD2 LEU A 53) -9.26542716 +0 -15.73595391 +0 -4.32428201 +0 H(ATOM 810 2HD2 LEU A 53) -8.01538026 +0 -16.98285671 +0 -4.30353089 +0 H(ATOM 811 3HD2 LEU A 53) -7.59208944 +0 -15.31524741 +0 -4.71584894 +0 N(ATOM 812 N GLN A 54) -11.97092562 +0 -15.93815796 +0 -8.20641585 +0 C(ATOM 813 CA GLN A 54) -13.08215408 +0 -16.89130953 +0 -8.26265049 +0 C(ATOM 814 C GLN A 54) -13.40791082 +0 -17.23168854 +0 -9.72868123 +0 O(ATOM 815 O GLN A 54) -13.61858357 +0 -18.39514827 +0 -10.06060111 +0 C(ATOM 816 CB GLN A 54) -14.30223581 +0 -16.28908865 +0 -7.54486353 +0 C(ATOM 817 CG GLN A 54) -15.42261313 +0 -17.29417565 +0 -7.30776316 +0 C(ATOM 818 CD GLN A 54) -16.28535916 +0 -17.65529329 +0 -8.49048581 +0 O(ATOM 819 OE1 GLN A 54) -16.90551076 +0 -18.71328793 +0 -8.52014455 +0 N(ATOM 820 NE2 GLN A 54) -16.45585114 +0 -16.75798372 +0 -9.51180843 +0 H(ATOM 821 H GLN A 54) -12.19332485 +0 -14.96596023 +0 -7.97832617 +0 H(ATOM 822 HA GLN A 54) -12.76493312 +0 -17.84905231 +0 -7.74184844 +0 H(ATOM 823 1HB GLN A 54) -13.96612691 +0 -15.90284798 +0 -6.54838398 +0 H(ATOM 824 2HB GLN A 54) -14.66479184 +0 -15.37657485 +0 -8.06254892 +0 H(ATOM 825 1HG GLN A 54) -15.02039960 +0 -18.23073431 +0 -6.85484898 +0 H(ATOM 826 2HG GLN A 54) -16.11254212 +0 -16.88572725 +0 -6.52115986 +0 H(ATOM 827 1HE2 GLN A 54) -15.90661740 +0 -15.92786376 +0 -9.57886036 +0 H(ATOM 828 2HE2 GLN A 54) -17.02919740 +0 -16.98886420 +0 -10.30740169 +0 N(ATOM 829 N GLU A 55) -13.49658227 +0 -16.22092974 +0 -10.63843674 +0 C(ATOM 830 CA GLU A 55) -13.81485920 +0 -16.52039161 +0 -12.03718976 +0 C(ATOM 831 C GLU A 55) -12.75796480 +0 -17.42179882 +0 -12.70611862 +0 O(ATOM 832 O GLU A 55) -13.07616110 +0 -18.23945792 +0 -13.55096891 +0 C(ATOM 833 CB GLU A 55) -13.90219329 +0 -15.22845756 +0 -12.87062004 +0 C(ATOM 834 CG GLU A 55) -15.08623108 +0 -14.35682451 +0 -12.45248955 +0 C(ATOM 835 CD GLU A 55) -15.13186472 +0 -13.04906605 +0 -13.17715833 +0 O(ATOM 836 OE1 GLU A 55) -14.21137813 +0 -12.92039311 +0 -14.11988721 +0 O(ATOM 837 OE2 GLU A 55) -15.90630969 +0 -12.13617252 +0 -12.92702270 +0 H(ATOM 838 H GLU A 55) -13.19349870 +0 -15.26515859 +0 -10.42515487 +0 H(ATOM 839 HA GLU A 55) -14.79896186 +0 -17.08014472 +0 -12.07365068 +0 H(ATOM 840 1HB GLU A 55) -14.00630429 +0 -15.49935713 +0 -13.94865581 +0 H(ATOM 841 2HB GLU A 55) -12.95573864 +0 -14.65212598 +0 -12.79508749 +0 H(ATOM 842 1HG GLU A 55) -16.04973108 +0 -14.89701544 +0 -12.63720975 +0 H(ATOM 843 2HG GLU A 55) -15.05303380 +0 -14.14478159 +0 -11.35528663 +0 H(ATOM 844 HE1 GLU A 55) -14.25585716 +0 -12.07013176 +0 -14.70339362 +0 N(ATOM 845 N GLU A 56) -11.44691312 +0 -17.26080168 +0 -12.32973197 +0 C(ATOM 846 CA GLU A 56) -10.38606679 +0 -17.89979327 +0 -13.09846693 +0 C(ATOM 847 C GLU A 56) -9.94548642 +0 -19.22607236 +0 -12.44753060 +0 O(ATOM 848 O GLU A 56) -9.32587280 +0 -20.04517514 +0 -13.12322747 +0 C(ATOM 849 CB GLU A 56) -9.15422504 +0 -16.98411387 +0 -13.18561824 +0 C(ATOM 850 CG GLU A 56) -9.43459111 +0 -15.74850001 +0 -14.04288355 +0 C(ATOM 851 CD GLU A 56) -8.14489385 +0 -15.03289730 +0 -14.31876727 +0 O(ATOM 852 OE1 GLU A 56) -7.19845495 +0 -14.99675029 +0 -13.55403654 +0 O(ATOM 853 OE2 GLU A 56) -8.12043718 +1 -14.47028877 +1 -15.51488687 +1 H(ATOM 854 H GLU A 56) -11.16101379 +0 -16.55584439 +0 -11.64580725 +0 H(ATOM 855 HA GLU A 56) -10.76075034 +0 -18.15288246 +0 -14.13953924 +0 H(ATOM 856 1HB GLU A 56) -8.83711145 +0 -16.65367465 +0 -12.16886762 +0 H(ATOM 857 2HB GLU A 56) -8.29951859 +0 -17.55607422 +0 -13.60390146 +0 H(ATOM 858 1HG GLU A 56) -10.11415551 +0 -15.04462052 +0 -13.49838818 +0 H(ATOM 859 2HG GLU A 56) -9.96979676 +0 -15.99638639 +0 -14.98213394 +0 H(ATOM 860 HE2 GLU A 56) -7.21110444 +1 -14.00344385 +1 -15.78382939 +1 N(ATOM 861 N SER A 57) -10.29485054 +0 -19.47156305 +0 -11.15326381 +0 C(ATOM 862 CA SER A 57) -9.81291245 +0 -20.64755686 +0 -10.42852430 +0 C(ATOM 863 C SER A 57) -10.91001061 +0 -21.27704888 +0 -9.55912860 +0 O(ATOM 864 O SER A 57) -10.71340308 +0 -22.36533601 +0 -9.02761267 +0 C(ATOM 865 CB SER A 57) -8.62760968 +0 -20.27457194 +0 -9.50069527 +0 O(ATOM 866 OG SER A 57) -9.09362102 +0 -19.64137544 +0 -8.34131928 +0 H(ATOM 867 H SER A 57) -10.69444366 +0 -18.71074146 +0 -10.59162679 +0 H(ATOM 868 HA SER A 57) -9.46706294 +0 -21.44262858 +0 -11.16321745 +0 H(ATOM 869 1HB SER A 57) -8.12207689 +0 -21.18387245 +0 -9.12067529 +0 H(ATOM 870 2HB SER A 57) -7.89518906 +0 -19.63324223 +0 -10.02487213 +0 H(ATOM 871 HG SER A 57) -9.46356400 +0 -18.74432540 +0 -8.53465885 +0 N(ATOM 872 N GLY A 58) -12.09605421 +0 -20.62343807 +0 -9.39589484 +0 C(ATOM 873 CA GLY A 58) -13.12357349 +0 -21.15065449 +0 -8.50424463 +0 C(ATOM 874 C GLY A 58) -12.82223374 +0 -20.93065514 +0 -7.02213664 +0 O(ATOM 875 O GLY A 58) -13.66424036 +0 -21.22045233 +0 -6.18269114 +0 H(ATOM 876 H GLY A 58) -12.25291321 +0 -19.67105873 +0 -9.71321053 +0 H(ATOM 877 1HA GLY A 58) -13.27407274 +0 -22.25303666 +0 -8.67225355 +0 H(ATOM 878 2HA GLY A 58) -14.10659551 +0 -20.67225864 +0 -8.75558065 +0 N(ATOM 879 N LEU A 59) -11.62266913 +0 -20.37922827 +0 -6.67777807 +0 C(ATOM 880 CA LEU A 59) -11.21732141 +0 -20.27781051 +0 -5.28301594 +0 C(ATOM 881 C LEU A 59) -11.80151920 +0 -18.99095074 +0 -4.67816457 +0 O(ATOM 882 O LEU A 59) -11.94095237 +0 -17.96015594 +0 -5.31609712 +0 C(ATOM 883 CB LEU A 59) -9.68833185 +0 -20.12893276 +0 -5.16599290 +0 C(ATOM 884 CG LEU A 59) -8.91870504 +0 -21.37301166 +0 -5.64274224 +0 C(ATOM 885 CD1 LEU A 59) -7.41478777 +0 -21.07226989 +0 -5.56756686 +0 C(ATOM 886 CD2 LEU A 59) -9.27586773 +0 -22.59155227 +0 -4.79139236 +0 H(ATOM 887 H LEU A 59) -10.92875268 +0 -20.08948847 +0 -7.35871405 +0 H(ATOM 888 HA LEU A 59) -11.57728605 +0 -21.18425556 +0 -4.71622973 +0 H(ATOM 889 1HB LEU A 59) -9.35175884 +0 -19.24793473 +0 -5.75391290 +0 H(ATOM 890 2HB LEU A 59) -9.42172712 +0 -19.90819155 +0 -4.11263336 +0 H(ATOM 891 HG LEU A 59) -9.18394422 +0 -21.57858376 +0 -6.71123942 +0 H(ATOM 892 1HD1 LEU A 59) -7.13870748 +0 -20.28270897 +0 -6.27705931 +0 H(ATOM 893 2HD1 LEU A 59) -7.12357896 +0 -20.74028306 +0 -4.56560925 +0 H(ATOM 894 3HD1 LEU A 59) -6.81781107 +0 -21.95939932 +0 -5.80309905 +0 H(ATOM 895 1HD2 LEU A 59) -10.26137335 +0 -22.99021920 +0 -5.06525014 +0 H(ATOM 896 2HD2 LEU A 59) -8.54851808 +0 -23.39985005 +0 -4.92039873 +0 H(ATOM 897 3HD2 LEU A 59) -9.30013097 +0 -22.35575442 +0 -3.72126388 +0 N(ATOM 898 N THR A 60) -12.11175967 +0 -19.07912600 +0 -3.34718557 +0 C(ATOM 899 CA THR A 60) -12.36781437 +0 -17.86621613 +0 -2.58716887 +0 C(ATOM 900 C THR A 60) -11.27421002 +0 -17.75740726 +0 -1.52449716 +0 O(ATOM 901 O THR A 60) -10.46424735 +0 -18.64449628 +0 -1.29102331 +0 C(ATOM 902 CB THR A 60) -13.78822754 +0 -17.86332651 +0 -1.94868252 +0 O(ATOM 903 OG1 THR A 60) -13.95275104 +0 -19.03396431 +0 -1.18733922 +0 C(ATOM 904 CG2 THR A 60) -14.85585642 +0 -17.86369973 +0 -3.03489700 +0 H(ATOM 905 H THR A 60) -11.93591694 +0 -19.92271531 +0 -2.79389217 +0 H(ATOM 906 HA THR A 60) -12.30237322 +0 -16.95944483 +0 -3.26264863 +0 H(ATOM 907 HB THR A 60) -13.89603729 +0 -16.97844079 +0 -1.27723009 +0 H(ATOM 908 HG1 THR A 60) -13.59524493 +0 -18.91522483 +0 -0.26438150 +0 H(ATOM 909 1HG2 THR A 60) -15.85306432 +0 -18.02840508 +0 -2.60722981 +0 H(ATOM 910 2HG2 THR A 60) -14.88124720 +0 -16.89864769 +0 -3.55917503 +0 H(ATOM 911 3HG2 THR A 60) -14.68434211 +0 -18.64619809 +0 -3.78621191 +0 N(ATOM 912 N VAL A 61) -11.20183608 +0 -16.57431009 +0 -0.85757722 +0 C(ATOM 913 CA VAL A 61) -10.08768215 +0 -16.36041032 +0 0.05872736 +0 C(ATOM 914 C VAL A 61) -10.62851492 +0 -15.59733132 +0 1.26263871 +0 O(ATOM 915 O VAL A 61) -11.49562565 +0 -14.74533795 +0 1.19418990 +0 C(ATOM 916 CB VAL A 61) -8.96353085 +0 -15.54926288 +0 -0.64475416 +0 C(ATOM 917 CG1 VAL A 61) -9.48943928 +0 -14.22170651 +0 -1.19281741 +0 C(ATOM 918 CG2 VAL A 61) -7.82083921 +0 -15.30311234 +0 0.32838730 +0 H(ATOM 919 H VAL A 61) -11.80166934 +0 -15.76292614 +0 -1.06115707 +0 H(ATOM 920 HA VAL A 61) -9.66197089 +0 -17.35825744 +0 0.38904508 +0 H(ATOM 921 HB VAL A 61) -8.59703411 +0 -16.17755239 +0 -1.49610958 +0 H(ATOM 922 1HG1 VAL A 61) -10.23626046 +0 -14.37516828 +0 -1.98429988 +0 H(ATOM 923 2HG1 VAL A 61) -9.96967422 +0 -13.62742971 +0 -0.40701884 +0 H(ATOM 924 3HG1 VAL A 61) -8.67672103 +0 -13.62027775 +0 -1.61224547 +0 H(ATOM 925 1HG2 VAL A 61) -7.49297108 +0 -16.21104233 +0 0.85582405 +0 H(ATOM 926 2HG2 VAL A 61) -6.93607758 +0 -14.90563915 +0 -0.18129778 +0 H(ATOM 927 3HG2 VAL A 61) -8.07433403 +0 -14.55905640 +0 1.09089757 +0 N(ATOM 928 N ASP A 62) -10.08317840 +0 -15.96198786 +0 2.47615300 +0 C(ATOM 929 CA ASP A 62) -10.44232718 +0 -15.18025884 +0 3.65590544 +0 C(ATOM 930 C ASP A 62) -9.89322302 +0 -13.74430346 +0 3.50949695 +0 O(ATOM 931 O ASP A 62) -10.64435359 +0 -12.78130490 +0 3.52364237 +0 C(ATOM 932 CB ASP A 62) -9.88616052 +0 -15.86060476 +0 4.91112996 +0 C(ATOM 933 CG ASP A 62) -10.25792880 +0 -15.09265644 +0 6.13834889 +0 O(ATOM 934 OD1 ASP A 62) -10.89654554 +0 -14.06928280 +0 6.19470705 +0 O(ATOM 935 OD2 ASP A 62) -9.77113808 +0 -15.68613373 +0 7.23955038 +0 H(ATOM 936 H ASP A 62) -9.25157845 +0 -16.55566386 +0 2.53109382 +0 H(ATOM 937 HA ASP A 62) -11.57139690 +0 -15.09739899 +0 3.71905866 +0 H(ATOM 938 1HB ASP A 62) -8.77639930 +0 -15.98536420 +0 4.85849171 +0 H(ATOM 939 2HB ASP A 62) -10.27785361 +0 -16.90759195 +0 4.98586748 +0 H(ATOM 940 HD2 ASP A 62) -9.98873796 +0 -15.20822471 +0 8.09726420 +0 N(ATOM 941 N ALA A 63) -8.54410937 +0 -13.60530416 +0 3.35933564 +0 C(ATOM 942 CA ALA A 63) -7.92496977 +0 -12.27785949 +0 3.41612811 +0 C(ATOM 943 C ALA A 63) -6.91401728 +0 -12.18662996 +0 2.25905170 +0 O(ATOM 944 O ALA A 63) -6.15687021 +0 -13.09640322 +0 1.97210785 +0 C(ATOM 945 CB ALA A 63) -7.16933533 +0 -12.11258898 +0 4.73380351 +0 H(ATOM 946 H ALA A 63) -7.89635104 +0 -14.39364518 +0 3.33000041 +0 H(ATOM 947 HA ALA A 63) -8.71848142 +0 -11.47856052 +0 3.32821859 +0 H(ATOM 948 1HB ALA A 63) -7.84803007 +0 -12.21809307 +0 5.59347864 +0 H(ATOM 949 2HB ALA A 63) -6.38072737 +0 -12.86662036 +0 4.86001924 +0 H(ATOM 950 3HB ALA A 63) -6.70394200 +0 -11.12208928 +0 4.81737595 +0 N(ATOM 951 N LEU A 64) -6.93567053 +0 -11.01568736 +0 1.54864637 +0 C(ATOM 952 CA LEU A 64) -5.91342713 +0 -10.73797941 +0 0.54691823 +0 C(ATOM 953 C LEU A 64) -5.02513512 +0 -9.61368103 +0 1.11252133 +0 O(ATOM 954 O LEU A 64) -5.52617509 +0 -8.68804270 +0 1.73102619 +0 C(ATOM 955 CB LEU A 64) -6.51922139 +0 -10.16103351 +0 -0.74748616 +0 C(ATOM 956 CG LEU A 64) -7.17518935 +0 -11.22172153 +0 -1.64338998 +0 C(ATOM 957 CD1 LEU A 64) -7.78074039 +0 -10.51584321 +0 -2.86411486 +0 C(ATOM 958 CD2 LEU A 64) -6.16433675 +0 -12.27792890 +0 -2.10093007 +0 H(ATOM 959 H LEU A 64) -7.49610446 +0 -10.21282836 +0 1.85586359 +0 H(ATOM 960 HA LEU A 64) -5.31522326 +0 -11.66650774 +0 0.33745716 +0 H(ATOM 961 1HB LEU A 64) -5.72792203 +0 -9.63354590 +0 -1.31821986 +0 H(ATOM 962 2HB LEU A 64) -7.26915917 +0 -9.38345567 +0 -0.48486815 +0 H(ATOM 963 HG LEU A 64) -7.98907927 +0 -11.72361904 +0 -1.06416538 +0 H(ATOM 964 1HD1 LEU A 64) -8.53673300 +0 -9.77845676 +0 -2.57165600 +0 H(ATOM 965 2HD1 LEU A 64) -7.01289463 +0 -9.98875546 +0 -3.44195675 +0 H(ATOM 966 3HD1 LEU A 64) -8.26739158 +0 -11.22632268 +0 -3.53897305 +0 H(ATOM 967 1HD2 LEU A 64) -5.83917957 +0 -12.90526287 +0 -1.25983134 +0 H(ATOM 968 2HD2 LEU A 64) -6.59893585 +0 -12.94797844 +0 -2.84966153 +0 H(ATOM 969 3HD2 LEU A 64) -5.27055683 +0 -11.82421455 +0 -2.54108498 +0 N(ATOM 970 N HIS A 65) -3.68887067 +0 -9.68916831 +0 0.85056378 +0 C(ATOM 971 CA HIS A 65) -2.76957228 +0 -8.70524524 +0 1.41658268 +0 C(ATOM 972 C HIS A 65) -2.13785559 +0 -7.95767378 +0 0.23606800 +0 O(ATOM 973 O HIS A 65) -1.73995029 +0 -8.54799515 +0 -0.76049310 +0 C(ATOM 974 CB HIS A 65) -1.63162184 +0 -9.38307950 +0 2.21317596 +0 C(ATOM 975 CG HIS A 65) -2.21982286 +0 -10.06351138 +0 3.37801874 +0 N(ATOM 976 ND1 HIS A 65) -2.69906557 +0 -11.37611932 +0 3.31755359 +0 C(ATOM 977 CD2 HIS A 65) -2.55440937 +0 -9.58075673 +0 4.64489220 +0 N(ATOM 978 NE2 HIS A 65) -3.23591966 +0 -10.56502644 +0 5.34221055 +0 C(ATOM 979 CE1 HIS A 65) -3.32708535 +0 -11.63384605 +0 4.52811173 +0 H(ATOM 980 H HIS A 65) -3.25405811 +0 -10.49171862 +0 0.39708964 +0 H(ATOM 981 HA HIS A 65) -3.33388057 +0 -8.00122435 +0 2.09626733 +0 H(ATOM 982 1HB HIS A 65) -0.89353464 +0 -8.61269876 +0 2.54769630 +0 H(ATOM 983 2HB HIS A 65) -1.05284799 +0 -10.08150529 +0 1.56806222 +0 H(ATOM 984 HD1 HIS A 65) -2.53515981 +0 -12.02725874 +0 2.57102791 +0 H(ATOM 985 HD2 HIS A 65) -2.35590152 +0 -8.61815107 +0 5.08427729 +0 H(ATOM 986 HE1 HIS A 65) -3.87103135 +0 -12.53609093 +0 4.74573595 +0 N(ATOM 987 N LYS A 66) -2.07664852 +0 -6.60473208 +0 0.33706156 +0 C(ATOM 988 CA LYS A 66) -1.38976662 +0 -5.83904667 +0 -0.70405567 +0 C(ATOM 989 C LYS A 66) 0.12076823 +0 -6.09447679 +0 -0.54689380 +0 O(ATOM 990 O LYS A 66) 0.73213194 +0 -5.85763435 +0 0.47121679 +0 C(ATOM 991 CB LYS A 66) -1.60818596 +0 -4.33567876 +0 -0.49186029 +0 C(ATOM 992 CG LYS A 66) -3.07633608 +0 -3.94027700 +0 -0.66599436 +0 C(ATOM 993 CD LYS A 66) -3.25450189 +0 -2.44802174 +0 -0.35701829 +0 C(ATOM 994 CE LYS A 66) -4.13536993 +0 -2.22217935 +0 0.88269751 +0 N(ATOM 995 NZ LYS A 66) -3.90496431 +0 -0.84493121 +0 1.39813010 +0 H(ATOM 996 H LYS A 66) -2.27299261 +0 -6.10205054 +0 1.20675489 +0 H(ATOM 997 HA LYS A 66) -1.76523717 +0 -6.16293208 +0 -1.71305014 +0 H(ATOM 998 1HB LYS A 66) -1.24699334 +0 -4.05198997 +0 0.52671260 +0 H(ATOM 999 2HB LYS A 66) -0.97340080 +0 -3.77206550 +0 -1.20477622 +0 H(ATOM 1000 1HG LYS A 66) -3.41331770 +0 -4.16927205 +0 -1.69485911 +0 H(ATOM 1001 2HG LYS A 66) -3.72037730 +0 -4.55814671 +0 -0.00488489 +0 H(ATOM 1002 1HD LYS A 66) -3.69695612 +0 -1.91954475 +0 -1.22099662 +0 H(ATOM 1003 2HD LYS A 66) -2.26530202 +0 -1.96991255 +0 -0.19464819 +0 H(ATOM 1004 1HE LYS A 66) -5.21295492 +0 -2.31014394 +0 0.61658403 +0 H(ATOM 1005 2HE LYS A 66) -3.93727137 +0 -2.99982219 +0 1.65373109 +0 H(ATOM 1006 1HZ LYS A 66) -4.18412165 +0 -0.77355399 +0 2.37022029 +0 H(ATOM 1007 2HZ LYS A 66) -2.91918934 +0 -0.60357222 +0 1.34496760 +0 N(ATOM 1008 N VAL A 67) 0.76729228 +0 -6.54320087 +0 -1.68262868 +0 C(ATOM 1009 CA VAL A 67) 2.20070336 +0 -6.80174137 +0 -1.61344159 +0 C(ATOM 1010 C VAL A 67) 2.95555422 +0 -5.95589745 +0 -2.64171857 +0 O(ATOM 1011 O VAL A 67) 4.14372492 +0 -5.70529200 +0 -2.49345767 +0 C(ATOM 1012 CB VAL A 67) 2.57616761 +0 -8.29066912 +0 -1.81466973 +0 C(ATOM 1013 CG1 VAL A 67) 2.08432035 +0 -9.09025353 +0 -0.60755327 +0 C(ATOM 1014 CG2 VAL A 67) 2.00861491 +0 -8.84891182 +0 -3.11892399 +0 H(ATOM 1015 H VAL A 67) 0.24810858 +0 -6.96518138 +0 -2.44787711 +0 H(ATOM 1016 HA VAL A 67) 2.58642248 +0 -6.47550467 +0 -0.59649350 +0 H(ATOM 1017 HB VAL A 67) 3.69959240 +0 -8.35239038 +0 -1.84641976 +0 H(ATOM 1018 1HG1 VAL A 67) 2.36398237 +0 -8.61162327 +0 0.33979853 +0 H(ATOM 1019 2HG1 VAL A 67) 0.99257679 +0 -9.19247859 +0 -0.60275383 +0 H(ATOM 1020 3HG1 VAL A 67) 2.52915116 +0 -10.09177390 +0 -0.59375674 +0 H(ATOM 1021 1HG2 VAL A 67) 2.32969372 +0 -8.26196646 +0 -3.98638611 +0 H(ATOM 1022 2HG2 VAL A 67) 2.34103728 +0 -9.88384998 +0 -3.27380854 +0 H(ATOM 1023 3HG2 VAL A 67) 0.91236686 +0 -8.87851203 +0 -3.11611756 +0 N(ATOM 1024 N GLY A 68) 2.28742889 +0 -5.47514037 +0 -3.73557043 +0 C(ATOM 1025 CA GLY A 68) 3.06560366 +0 -4.69770662 +0 -4.68846591 +0 C(ATOM 1026 C GLY A 68) 2.18509976 +0 -3.89364683 +0 -5.61361178 +0 O(ATOM 1027 O GLY A 68) 0.98162148 +0 -4.04369908 +0 -5.78351651 +0 H(ATOM 1028 H GLY A 68) 1.30739331 +0 -5.63602928 +0 -3.93263618 +0 H(ATOM 1029 1HA GLY A 68) 3.73255179 +0 -5.37475497 +0 -5.28844893 +0 H(ATOM 1030 2HA GLY A 68) 3.77891426 +0 -4.01917342 +0 -4.13271859 +0 N(ATOM 1031 N GLN A 69) 2.85406732 +0 -2.92590520 +0 -6.30359533 +0 C(ATOM 1032 CA GLN A 69) 2.20061286 +0 -2.23606415 +0 -7.41618412 +0 C(ATOM 1033 C GLN A 69) 3.21799083 +0 -2.29235709 +0 -8.56722095 +0 O(ATOM 1034 O GLN A 69) 4.40597680 +0 -2.08214293 +0 -8.35507063 +0 C(ATOM 1035 CB GLN A 69) 1.90225044 +0 -0.77829727 +0 -7.03974788 +0 C(ATOM 1036 CG GLN A 69) 1.33260440 +0 -0.01205257 +0 -8.22827782 +0 C(ATOM 1037 CD GLN A 69) 1.02385784 +0 1.40794387 +0 -7.81359262 +0 O(ATOM 1038 OE1 GLN A 69) 1.70791864 +0 2.03546147 +0 -7.01215448 +0 N(ATOM 1039 NE2 GLN A 69) -0.06166290 +0 1.98468822 +0 -8.40280356 +0 H(ATOM 1040 H GLN A 69) 3.85527203 +0 -2.75231068 +0 -6.18579937 +0 H(ATOM 1041 HA GLN A 69) 1.24023132 +0 -2.76240516 +0 -7.69680667 +0 H(ATOM 1042 1HB GLN A 69) 2.81807637 +0 -0.27133297 +0 -6.66606567 +0 H(ATOM 1043 2HB GLN A 69) 1.18875281 +0 -0.76233959 +0 -6.18787317 +0 H(ATOM 1044 1HG GLN A 69) 2.06284213 +0 0.02482230 +0 -9.06780347 +0 H(ATOM 1045 2HG GLN A 69) 0.43354596 +0 -0.52149944 +0 -8.64411091 +0 H(ATOM 1046 1HE2 GLN A 69) -0.65498295 +0 1.45020094 +0 -9.04502897 +0 H(ATOM 1047 2HE2 GLN A 69) -0.36902492 +0 2.90917612 +0 -8.16551863 +0 N(ATOM 1048 N ILE A 70) 2.73884404 +0 -2.65360268 +0 -9.78480994 +0 C(ATOM 1049 CA ILE A 70) 3.61623025 +0 -2.63858658 +0 -10.95674776 +0 C(ATOM 1050 C ILE A 70) 2.84703367 +0 -1.80625154 +0 -11.99846069 +0 O(ATOM 1051 O ILE A 70) 1.67309149 +0 -2.05773753 +0 -12.20698462 +0 C(ATOM 1052 CB ILE A 70) 3.85284150 +0 -4.05684877 +0 -11.53570217 +0 C(ATOM 1053 CG1 ILE A 70) 4.35313455 +0 -4.99712749 +0 -10.42662446 +0 C(ATOM 1054 CG2 ILE A 70) 4.87956781 +0 -3.94703695 +0 -12.66430885 +0 C(ATOM 1055 CD1 ILE A 70) 4.29886439 +0 -6.45919312 +0 -10.85606461 +0 H(ATOM 1056 H ILE A 70) 1.73309418 +0 -2.76770427 +0 -9.97335570 +0 H(ATOM 1057 HA ILE A 70) 4.60475821 +0 -2.17018349 +0 -10.69222705 +0 H(ATOM 1058 HB ILE A 70) 2.88889107 +0 -4.44999587 +0 -11.94285033 +0 H(ATOM 1059 1HG1 ILE A 70) 3.73340303 +0 -4.86746568 +0 -9.51638417 +0 H(ATOM 1060 2HG1 ILE A 70) 5.38349630 +0 -4.71910235 +0 -10.13650054 +0 H(ATOM 1061 1HG2 ILE A 70) 4.50946869 +0 -3.33543790 +0 -13.49798672 +0 H(ATOM 1062 2HG2 ILE A 70) 5.82248435 +0 -3.51273275 +0 -12.31868995 +0 H(ATOM 1063 3HG2 ILE A 70) 5.10547601 +0 -4.93811335 +0 -13.08419780 +0 H(ATOM 1064 1HD1 ILE A 70) 4.71800745 +0 -7.11654391 +0 -10.08362895 +0 H(ATOM 1065 2HD1 ILE A 70) 3.27331228 +0 -6.79104146 +0 -11.04926216 +0 H(ATOM 1066 3HD1 ILE A 70) 4.87874050 +0 -6.63801040 +0 -11.77017475 +0 N(ATOM 1067 N VAL A 71) 3.53316093 +0 -0.79024029 +0 -12.58723520 +0 C(ATOM 1068 CA VAL A 71) 2.92581596 +0 0.04059727 +0 -13.61992689 +0 C(ATOM 1069 C VAL A 71) 3.62672462 +0 -0.35984271 +0 -14.92605304 +0 O(ATOM 1070 O VAL A 71) 4.84392141 +0 -0.44009542 +0 -15.00628026 +0 C(ATOM 1071 CB VAL A 71) 3.17185447 +0 1.54682104 +0 -13.34639665 +0 C(ATOM 1072 CG1 VAL A 71) 2.78985358 +0 2.36957774 +0 -14.57909117 +0 C(ATOM 1073 CG2 VAL A 71) 2.35626335 +0 1.96522958 +0 -12.12208140 +0 H(ATOM 1074 H VAL A 71) 4.50303086 +0 -0.58464840 +0 -12.34519873 +0 H(ATOM 1075 HA VAL A 71) 1.81535686 +0 -0.16180046 +0 -13.67090392 +0 H(ATOM 1076 HB VAL A 71) 4.25845067 +0 1.70308411 +0 -13.13097285 +0 H(ATOM 1077 1HG1 VAL A 71) 3.42854452 +0 2.14432903 +0 -15.44229293 +0 H(ATOM 1078 2HG1 VAL A 71) 1.75267173 +0 2.19288630 +0 -14.88545611 +0 H(ATOM 1079 3HG1 VAL A 71) 2.88906499 +0 3.44525206 +0 -14.37970284 +0 H(ATOM 1080 1HG2 VAL A 71) 2.71510145 +0 1.45892711 +0 -11.21556045 +0 H(ATOM 1081 2HG2 VAL A 71) 2.42928026 +0 3.04372604 +0 -11.93923492 +0 H(ATOM 1082 3HG2 VAL A 71) 1.29260341 +0 1.72357200 +0 -12.22921740 +0 N(ATOM 1083 N PHE A 72) 2.81079776 +0 -0.60086065 +0 -15.99304110 +0 C(ATOM 1084 CA PHE A 72) 3.36783932 +0 -1.05403273 +0 -17.25769202 +0 C(ATOM 1085 C PHE A 72) 3.04701079 +0 0.02147876 +0 -18.30860637 +0 O(ATOM 1086 O PHE A 72) 1.92247577 +0 0.46774369 +0 -18.46765273 +0 C(ATOM 1087 CB PHE A 72) 2.71654604 +1 -2.36597278 +1 -17.74243138 +1 C(ATOM 1088 CG PHE A 72) 3.12938884 +1 -3.51001435 +1 -16.87012693 +1 C(ATOM 1089 CD1 PHE A 72) 4.37249389 +1 -4.11567322 +1 -17.06805183 +1 C(ATOM 1090 CD2 PHE A 72) 2.27967999 +1 -3.97691010 +1 -15.86584098 +1 C(ATOM 1091 CE1 PHE A 72) 4.74989390 +1 -5.19913369 +1 -16.27885997 +1 C(ATOM 1092 CE2 PHE A 72) 2.66421608 +1 -5.05863820 +1 -15.07612183 +1 C(ATOM 1093 CZ PHE A 72) 3.89396948 +1 -5.67822564 +1 -15.28845919 +1 H(ATOM 1094 H PHE A 72) 1.79441432 +0 -0.63344645 +0 -15.89228395 +0 H(ATOM 1095 HA PHE A 72) 4.48628275 +0 -1.20604094 +0 -17.15316234 +0 H(ATOM 1096 1HB PHE A 72) 3.00760730 +1 -2.56121365 +1 -18.79975532 +1 H(ATOM 1097 2HB PHE A 72) 1.61103940 +1 -2.26004783 +1 -17.77646677 +1 H(ATOM 1098 HD1 PHE A 72) 5.03902118 +1 -3.73581422 +1 -17.84221436 +1 H(ATOM 1099 HD2 PHE A 72) 1.31522298 +1 -3.50167847 +1 -15.69771006 +1 H(ATOM 1100 HE1 PHE A 72) 5.70974409 +1 -5.68844555 +1 -16.43376669 +1 H(ATOM 1101 HE2 PHE A 72) 1.99887932 +1 -5.42602622 +1 -14.29698716 +1 H(ATOM 1102 HZ PHE A 72) 4.18522903 +1 -6.54680989 +1 -14.69248672 +1 N(ATOM 1103 N GLU A 73) 4.10643277 +0 0.43732838 +0 -19.07567635 +0 C(ATOM 1104 CA GLU A 73) 3.85038024 +0 1.15490034 +0 -20.32026093 +0 C(ATOM 1105 C GLU A 73) 4.06137709 +0 0.13984787 +0 -21.45555852 +0 O(ATOM 1106 O GLU A 73) 5.09405351 +0 -0.50952963 +0 -21.50528929 +0 C(ATOM 1107 CB GLU A 73) 4.87230122 +0 2.28883261 +0 -20.54462648 +0 C(ATOM 1108 CG GLU A 73) 4.63886220 +0 2.94015604 +0 -21.90700241 +0 C(ATOM 1109 CD GLU A 73) 5.75603706 +0 3.85705651 +0 -22.29580636 +0 O(ATOM 1110 OE1 GLU A 73) 6.56812672 +0 4.39246802 +0 -21.57767594 +0 O(ATOM 1111 OE2 GLU A 73) 5.75710019 +0 3.99818996 +0 -23.62659139 +0 H(ATOM 1112 H GLU A 73) 5.02252424 +0 -0.02128072 +0 -18.99280558 +0 H(ATOM 1113 HA GLU A 73) 2.79805919 +0 1.56728173 +0 -20.32835462 +0 H(ATOM 1114 1HB GLU A 73) 4.77003240 +0 3.04121174 +0 -19.73587641 +0 H(ATOM 1115 2HB GLU A 73) 5.90691209 +0 1.89209298 +0 -20.47432194 +0 H(ATOM 1116 1HG GLU A 73) 3.67757041 +0 3.51453015 +0 -21.91779038 +0 H(ATOM 1117 2HG GLU A 73) 4.49908326 +0 2.18573117 +0 -22.71774116 +0 H(ATOM 1118 HE2 GLU A 73) 6.36553235 +0 4.66658732 +0 -24.06681921 +0 N(ATOM 1119 N PHE A 74) 3.08104652 +0 0.03056587 +0 -22.39109149 +0 C(ATOM 1120 CA PHE A 74) 3.35379723 +0 -0.72777292 +0 -23.61070962 +0 C(ATOM 1121 C PHE A 74) 3.50625271 +0 0.32945994 +0 -24.71813305 +0 O(ATOM 1122 O PHE A 74) 2.62601810 +0 1.14593067 +0 -24.93282781 +0 C(ATOM 1123 CB PHE A 74) 2.18593159 +0 -1.66768889 +0 -23.94836722 +0 C(ATOM 1124 CG PHE A 74) 2.33093535 +0 -2.92687671 +0 -23.15025479 +0 C(ATOM 1125 CD1 PHE A 74) 3.04860831 +0 -3.99939902 +0 -23.68072471 +0 C(ATOM 1126 CD2 PHE A 74) 1.78956916 +0 -3.01528935 +0 -21.86610183 +0 C(ATOM 1127 CE1 PHE A 74) 3.20441587 +0 -5.16650938 +0 -22.93700451 +0 C(ATOM 1128 CE2 PHE A 74) 1.98330807 +1 -4.17127562 +1 -21.11264871 +1 C(ATOM 1129 CZ PHE A 74) 2.68221719 +1 -5.25136360 +1 -21.64868996 +1 H(ATOM 1130 H PHE A 74) 2.24557506 +0 0.64022403 +0 -22.40094922 +0 H(ATOM 1131 HA PHE A 74) 4.30470075 +0 -1.33144761 +0 -23.49676144 +0 H(ATOM 1132 1HB PHE A 74) 2.17667441 +0 -1.88394928 +0 -25.03564941 +0 H(ATOM 1133 2HB PHE A 74) 1.21196846 +0 -1.16783270 +0 -23.74536952 +0 H(ATOM 1134 HD1 PHE A 74) 3.49276979 +0 -3.92918496 +0 -24.67153805 +0 H(ATOM 1135 HD2 PHE A 74) 1.23611849 +0 -2.17480092 +0 -21.45228765 +0 H(ATOM 1136 HE1 PHE A 74) 3.76728246 +0 -5.99728894 +0 -23.35920568 +0 H(ATOM 1137 HE2 PHE A 74) 1.58825144 +1 -4.24173545 +1 -20.09927133 +1 H(ATOM 1138 HZ PHE A 74) 2.82845108 +1 -6.15630183 +1 -21.04870913 +1 N(ATOM 1139 N VAL A 75) 4.69367260 +0 0.34549345 +0 -25.38783304 +0 C(ATOM 1140 CA VAL A 75) 4.98435708 +0 1.41292618 +0 -26.34430014 +0 C(ATOM 1141 C VAL A 75) 3.81991192 +0 1.49227038 +0 -27.34460720 +0 O(ATOM 1142 O VAL A 75) 3.35526282 +0 0.49607044 +0 -27.88354911 +0 C(ATOM 1143 CB VAL A 75) 6.29126161 +0 1.11397412 +0 -27.12501610 +0 C(ATOM 1144 CG1 VAL A 75) 6.45084630 +0 2.10235739 +0 -28.27933821 +0 C(ATOM 1145 CG2 VAL A 75) 7.48886475 +0 1.22056968 +0 -26.17884767 +0 H(ATOM 1146 H VAL A 75) 5.41442942 +0 -0.35924281 +0 -25.23116293 +0 H(ATOM 1147 HA VAL A 75) 5.09098991 +0 2.38462486 +0 -25.78048708 +0 H(ATOM 1148 HB VAL A 75) 6.23081982 +0 0.07641245 +0 -27.54167582 +0 H(ATOM 1149 1HG1 VAL A 75) 5.68266544 +0 1.97138706 +0 -29.05241503 +0 H(ATOM 1150 2HG1 VAL A 75) 6.40599693 +0 3.14560915 +0 -27.94386998 +0 H(ATOM 1151 3HG1 VAL A 75) 7.41855670 +0 1.97348147 +0 -28.78274100 +0 H(ATOM 1152 1HG2 VAL A 75) 7.43484284 +0 0.48047685 +0 -25.36776640 +0 H(ATOM 1153 2HG2 VAL A 75) 8.42779970 +0 1.05449529 +0 -26.72008470 +0 H(ATOM 1154 3HG2 VAL A 75) 7.54328640 +0 2.21636681 +0 -25.72382469 +0 N(ATOM 1155 N GLY A 76) 3.35701296 +0 2.75114490 +0 -27.61121803 +0 C(ATOM 1156 CA GLY A 76) 2.28057634 +0 2.98601420 +0 -28.55884355 +0 C(ATOM 1157 C GLY A 76) 0.88019218 +0 2.88504541 +0 -27.95512808 +0 O(ATOM 1158 O GLY A 76) -0.07982767 +0 3.29747527 +0 -28.61172465 +0 H(ATOM 1159 H GLY A 76) 3.71405622 +0 3.56500529 +0 -27.11112826 +0 H(ATOM 1160 1HA GLY A 76) 2.33878157 +0 2.26564516 +0 -29.41911315 +0 H(ATOM 1161 2HA GLY A 76) 2.40182834 +0 4.00992028 +0 -29.00851677 +0 N(ATOM 1162 N GLU A 77) 0.72340433 +0 2.30198899 +0 -26.74085652 +0 C(ATOM 1163 CA GLU A 77) -0.59232784 +0 2.12777059 +0 -26.12914257 +0 C(ATOM 1164 C GLU A 77) -0.79223722 +0 3.26977807 +0 -25.11820119 +0 O(ATOM 1165 O GLU A 77) 0.00501569 +0 3.47581239 +0 -24.20950809 +0 C(ATOM 1166 CB GLU A 77) -0.65845231 +0 0.81041808 +0 -25.33502554 +0 C(ATOM 1167 CG GLU A 77) -0.55448514 +0 -0.38829105 +0 -26.27267174 +0 C(ATOM 1168 CD GLU A 77) -0.90948742 +0 -1.68718838 +0 -25.63340106 +0 O(ATOM 1169 OE1 GLU A 77) -1.15313679 +0 -1.60536411 +0 -24.30937086 +0 O(ATOM 1170 OE2 GLU A 77) -0.97479446 +0 -2.76164677 +0 -26.19233398 +0 H(ATOM 1171 H GLU A 77) 1.52376733 +0 2.04250714 +0 -26.15435573 +0 H(ATOM 1172 HA GLU A 77) -1.38050499 +0 2.14083628 +0 -26.93432984 +0 H(ATOM 1173 1HB GLU A 77) 0.14881877 +0 0.78251539 +0 -24.56784063 +0 H(ATOM 1174 2HB GLU A 77) -1.61613690 +0 0.78006640 +0 -24.77007079 +0 H(ATOM 1175 1HG GLU A 77) -1.23118306 +0 -0.24650398 +0 -27.15856821 +0 H(ATOM 1176 2HG GLU A 77) 0.46874693 +0 -0.45498861 +0 -26.71241770 +0 H(ATOM 1177 HE1 GLU A 77) -1.45440708 +0 -2.47250964 +0 -23.90368403 +0 N(ATOM 1178 N PRO A 78) -1.88095711 +0 4.07337405 +0 -25.25118588 +0 C(ATOM 1179 CA PRO A 78) -2.02255286 +0 5.30193752 +0 -24.46622839 +0 C(ATOM 1180 C PRO A 78) -2.21441235 +0 5.06701640 +0 -22.96484334 +0 O(ATOM 1181 O PRO A 78) -1.74207216 +0 5.89579680 +0 -22.19452715 +0 C(ATOM 1182 CB PRO A 78) -3.27864515 +0 6.00910326 +0 -25.02058739 +0 C(ATOM 1183 CG PRO A 78) -4.06779495 +0 4.90924482 +0 -25.74575124 +0 C(ATOM 1184 CD PRO A 78) -3.00750225 +0 3.88648993 +0 -26.19122152 +0 H(ATOM 1185 HA PRO A 78) -1.09697441 +0 5.93416976 +0 -24.58855218 +0 H(ATOM 1186 1HB PRO A 78) -2.98746948 +0 6.81716595 +0 -25.71814945 +0 H(ATOM 1187 2HB PRO A 78) -3.87685329 +0 6.49618890 +0 -24.23061801 +0 H(ATOM 1188 1HG PRO A 78) -4.81064496 +0 4.43997867 +0 -25.07406359 +0 H(ATOM 1189 2HG PRO A 78) -4.63963604 +0 5.30651539 +0 -26.60142211 +0 H(ATOM 1190 1HD PRO A 78) -3.39333384 +0 2.84520469 +0 -26.14075899 +0 H(ATOM 1191 2HD PRO A 78) -2.66693873 +0 4.08418071 +0 -27.23327506 +0 N(ATOM 1192 N GLU A 79) -2.96322531 +0 4.01866350 +0 -22.51745218 +0 C(ATOM 1193 CA GLU A 79) -3.14613453 +0 3.83116191 +0 -21.08235334 +0 C(ATOM 1194 C GLU A 79) -1.94674014 +0 3.05312868 +0 -20.51018831 +0 O(ATOM 1195 O GLU A 79) -1.50814767 +0 2.03168225 +0 -21.03622533 +0 C(ATOM 1196 CB GLU A 79) -4.39011123 +0 2.98244385 +0 -20.76535675 +0 C(ATOM 1197 CG GLU A 79) -5.68381250 +0 3.72616212 +0 -21.07709701 +0 C(ATOM 1198 CD GLU A 79) -6.89248599 +0 2.86960128 +0 -20.90017700 +0 O(ATOM 1199 OE1 GLU A 79) -6.58150435 +0 1.59236846 +0 -20.57883070 +0 O(ATOM 1200 OE2 GLU A 79) -8.04860277 +0 3.19902489 +0 -21.02262254 +0 H(ATOM 1201 H GLU A 79) -3.28587303 +0 3.26522189 +0 -23.13514769 +0 H(ATOM 1202 HA GLU A 79) -3.22912174 +0 4.84434275 +0 -20.58877428 +0 H(ATOM 1203 1HB GLU A 79) -4.37252220 +0 2.68719795 +0 -19.69256936 +0 H(ATOM 1204 2HB GLU A 79) -4.35243459 +0 2.02500501 +0 -21.33388122 +0 H(ATOM 1205 1HG GLU A 79) -5.78817223 +0 4.64688760 +0 -20.45248292 +0 H(ATOM 1206 2HG GLU A 79) -5.67650723 +0 4.11737760 +0 -22.12782712 +0 H(ATOM 1207 HE1 GLU A 79) -7.36801166 +0 0.98056536 +0 -20.52564134 +0 N(ATOM 1208 N LEU A 80) -1.43296194 +0 3.52262395 +0 -19.34250685 +0 C(ATOM 1209 CA LEU A 80) -0.52548149 +0 2.67342769 +0 -18.57144411 +0 C(ATOM 1210 C LEU A 80) -1.40143543 +0 1.63840428 +0 -17.83988802 +0 O(ATOM 1211 O LEU A 80) -2.56400595 +0 1.88227713 +0 -17.54230225 +0 C(ATOM 1212 CB LEU A 80) 0.22266752 +0 3.47667973 +0 -17.50187321 +0 C(ATOM 1213 CG LEU A 80) 1.11306451 +0 4.58090267 +0 -18.10188845 +0 C(ATOM 1214 CD1 LEU A 80) 1.69905669 +0 5.39792290 +0 -16.94549166 +0 C(ATOM 1215 CD2 LEU A 80) 2.22504699 +0 3.99597398 +0 -18.97473058 +0 H(ATOM 1216 H LEU A 80) -1.81058578 +0 4.34562956 +0 -18.87010068 +0 H(ATOM 1217 HA LEU A 80) 0.20243601 +0 2.15738411 +0 -19.26570059 +0 H(ATOM 1218 1HB LEU A 80) -0.49851151 +0 3.93341922 +0 -16.79336389 +0 H(ATOM 1219 2HB LEU A 80) 0.84895981 +0 2.78278319 +0 -16.90217926 +0 H(ATOM 1220 HG LEU A 80) 0.48312811 +0 5.25334119 +0 -18.73428229 +0 H(ATOM 1221 1HD1 LEU A 80) 0.90736843 +0 5.86242127 +0 -16.34553176 +0 H(ATOM 1222 2HD1 LEU A 80) 2.30219145 +0 4.77633200 +0 -16.27391290 +0 H(ATOM 1223 3HD1 LEU A 80) 2.34334156 +0 6.20376444 +0 -17.31449259 +0 H(ATOM 1224 1HD2 LEU A 80) 1.82255069 +0 3.58619816 +0 -19.91135908 +0 H(ATOM 1225 2HD2 LEU A 80) 2.95278852 +0 4.76860388 +0 -19.25340185 +0 H(ATOM 1226 3HD2 LEU A 80) 2.76240954 +0 3.19136689 +0 -18.46031347 +0 N(ATOM 1227 N MET A 81) -0.81293989 +0 0.45088890 +0 -17.53110318 +0 C(ATOM 1228 CA MET A 81) -1.55135690 +0 -0.55334259 +0 -16.77139490 +0 C(ATOM 1229 C MET A 81) -1.05062703 +0 -0.46422139 +0 -15.31675849 +0 O(ATOM 1230 O MET A 81) 0.12804087 +0 -0.60421658 +0 -15.03124595 +0 C(ATOM 1231 CB MET A 81) -1.26541026 +0 -1.97494138 +0 -17.28241638 +0 C(ATOM 1232 CG MET A 81) -1.51798799 +0 -2.07088814 +0 -18.78078945 +0 S(ATOM 1233 SD MET A 81) -1.21556336 +1 -3.75828131 +1 -19.42199091 +1 C(ATOM 1234 CE MET A 81) -2.59913889 +1 -4.74828215 +1 -18.80551396 +1 H(ATOM 1235 H MET A 81) 0.18071930 +0 0.27222200 +0 -17.70753529 +0 H(ATOM 1236 HA MET A 81) -2.65656969 +0 -0.34236853 +0 -16.83952268 +0 H(ATOM 1237 1HB MET A 81) -1.90886126 +1 -2.69028028 +1 -16.72560821 +1 H(ATOM 1238 2HB MET A 81) -0.21980704 +1 -2.26787996 +1 -17.03884299 +1 H(ATOM 1239 1HG MET A 81) -2.53687642 +0 -1.73342442 +0 -19.04210621 +0 H(ATOM 1240 2HG MET A 81) -0.82621681 +0 -1.41308691 +0 -19.34604456 +0 H(ATOM 1241 1HE MET A 81) -2.35042207 +1 -5.81347430 +1 -18.95798385 +1 H(ATOM 1242 2HE MET A 81) -2.77671527 +1 -4.62291050 +1 -17.73194798 +1 H(ATOM 1243 3HE MET A 81) -3.53439472 +1 -4.54688972 +1 -19.33941658 +1 N(ATOM 1244 N ASP A 82) -2.00022142 +0 -0.22513817 +0 -14.37444006 +0 C(ATOM 1245 CA ASP A 82) -1.65695478 +0 -0.03036983 +0 -12.96145630 +0 C(ATOM 1246 C ASP A 82) -2.13074580 +0 -1.30152410 +0 -12.22214592 +0 O(ATOM 1247 O ASP A 82) -3.26835226 +0 -1.42826423 +0 -11.79325233 +0 C(ATOM 1248 CB ASP A 82) -2.39981278 +0 1.18912125 +0 -12.42794507 +0 C(ATOM 1249 CG ASP A 82) -2.21482373 +0 1.33754661 +0 -10.92707690 +0 O(ATOM 1250 OD1 ASP A 82) -1.52378550 +0 0.50917437 +0 -10.30816642 +0 O(ATOM 1251 OD2 ASP A 82) -2.82128094 +0 2.29010949 +0 -10.38855567 +0 H(ATOM 1252 H ASP A 82) -2.97735599 +0 -0.06528120 +0 -14.62602176 +0 H(ATOM 1253 HA ASP A 82) -0.54385008 +0 0.09926062 +0 -12.83300333 +0 H(ATOM 1254 1HB ASP A 82) -3.48997380 +0 1.11348937 +0 -12.63395881 +0 H(ATOM 1255 2HB ASP A 82) -2.05256788 +0 2.11392466 +0 -12.93003387 +0 N(ATOM 1256 N VAL A 83) -1.18761070 +0 -2.28470627 +0 -12.14167345 +0 C(ATOM 1257 CA VAL A 83) -1.48536459 +1 -3.60158594 +1 -11.60120032 +1 C(ATOM 1258 C VAL A 83) -1.20855052 +0 -3.58662158 +0 -10.08412828 +0 O(ATOM 1259 O VAL A 83) -0.14120026 +0 -3.33267325 +0 -9.56125499 +0 C(ATOM 1260 CB VAL A 83) -0.58965926 +1 -4.68576564 +1 -12.26068351 +1 C(ATOM 1261 CG1 VAL A 83) -0.88320288 +1 -6.05012521 +1 -11.63138080 +1 C(ATOM 1262 CG2 VAL A 83) -0.84412083 +1 -4.73698245 +1 -13.76793519 +1 H(ATOM 1263 H VAL A 83) -0.23415770 +0 -2.13564535 +0 -12.49334712 +0 H(ATOM 1264 HA VAL A 83) -2.57220730 +1 -3.83985230 +1 -11.78996535 +1 H(ATOM 1265 HB VAL A 83) 0.48394917 +1 -4.41346874 +1 -12.07774215 +1 H(ATOM 1266 1HG1 VAL A 83) -0.61990682 +1 -6.07365250 +1 -10.56736968 +1 H(ATOM 1267 2HG1 VAL A 83) -1.93941089 +1 -6.32232610 +1 -11.72017086 +1 H(ATOM 1268 3HG1 VAL A 83) -0.29696003 +1 -6.83847674 +1 -12.12418767 +1 H(ATOM 1269 1HG2 VAL A 83) -0.59306498 +1 -3.78649587 +1 -14.25579765 +1 H(ATOM 1270 2HG2 VAL A 83) -0.23148193 +1 -5.51179841 +1 -14.24947846 +1 H(ATOM 1271 3HG2 VAL A 83) -1.88830386 +1 -4.96174362 +1 -14.00768386 +1 N(ATOM 1272 N HIS A 84) -2.31449464 +0 -3.86833835 +0 -9.30658654 +0 C(ATOM 1273 CA HIS A 84) -2.21489143 +0 -3.98752520 +0 -7.85633709 +0 C(ATOM 1274 C HIS A 84) -2.09515107 +0 -5.49710702 +0 -7.54614650 +0 O(ATOM 1275 O HIS A 84) -2.93814939 +0 -6.28428160 +0 -7.95187861 +0 C(ATOM 1276 CB HIS A 84) -3.50150495 +0 -3.43651494 +0 -7.21184930 +0 C(ATOM 1277 CG HIS A 84) -3.52488244 +0 -1.96194270 +0 -7.24829417 +0 N(ATOM 1278 ND1 HIS A 84) -3.36839480 +0 -1.20184227 +0 -8.41979499 +0 C(ATOM 1279 CD2 HIS A 84) -3.69836453 +0 -1.05842884 +0 -6.20418605 +0 N(ATOM 1280 NE2 HIS A 84) -3.62929159 +0 0.22356063 +0 -6.74417558 +0 C(ATOM 1281 CE1 HIS A 84) -3.41823640 +0 0.12302217 +0 -8.09108080 +0 H(ATOM 1282 H HIS A 84) -3.17528964 +0 -4.23966048 +0 -9.71900927 +0 H(ATOM 1283 HA HIS A 84) -1.31339509 +0 -3.42155648 +0 -7.48259369 +0 H(ATOM 1284 1HB HIS A 84) -3.57679717 +0 -3.80507845 +0 -6.15711641 +0 H(ATOM 1285 2HB HIS A 84) -4.39719721 +0 -3.86292842 +0 -7.72650469 +0 H(ATOM 1286 HD1 HIS A 84) -3.14673519 +0 -1.58400207 +0 -9.33853447 +0 H(ATOM 1287 HD2 HIS A 84) -3.87400141 +0 -1.24028514 +0 -5.14985579 +0 H(ATOM 1288 HE2 HIS A 84) -3.68207789 +0 1.09871696 +0 -6.22180687 +0 H(ATOM 1289 HE1 HIS A 84) -3.31056606 +0 0.96460103 +0 -8.79522713 +0 N(ATOM 1290 N VAL A 85) -0.98903456 +0 -5.87407722 +0 -6.85193141 +0 C(ATOM 1291 CA VAL A 85) -0.63934358 +0 -7.27335126 +0 -6.63810415 +0 C(ATOM 1292 C VAL A 85) -0.99751386 +0 -7.59064678 +0 -5.17476395 +0 O(ATOM 1293 O VAL A 85) -0.74802117 +0 -6.82271546 +0 -4.24792982 +0 C(ATOM 1294 CB VAL A 85) 0.88559425 +0 -7.49234253 +0 -6.86665994 +0 C(ATOM 1295 CG1 VAL A 85) 1.22856648 +0 -8.97671797 +0 -6.73468000 +0 C(ATOM 1296 CG2 VAL A 85) 1.27880087 +0 -6.97562387 +0 -8.25336790 +0 H(ATOM 1297 H VAL A 85) -0.27652274 +0 -5.20712870 +0 -6.53811739 +0 H(ATOM 1298 HA VAL A 85) -1.22632773 +0 -7.93294808 +0 -7.34096482 +0 H(ATOM 1299 HB VAL A 85) 1.45002006 +0 -6.91623409 +0 -6.08980755 +0 H(ATOM 1300 1HG1 VAL A 85) 0.99494427 +0 -9.36872788 +0 -5.73617222 +0 H(ATOM 1301 2HG1 VAL A 85) 0.67982876 +0 -9.59150240 +0 -7.45849395 +0 H(ATOM 1302 3HG1 VAL A 85) 2.29908447 +0 -9.15035014 +0 -6.90600175 +0 H(ATOM 1303 1HG2 VAL A 85) 1.18955133 +0 -5.88352185 +0 -8.32461326 +0 H(ATOM 1304 2HG2 VAL A 85) 2.31965951 +0 -7.22592105 +0 -8.49473358 +0 H(ATOM 1305 3HG2 VAL A 85) 0.65164554 +0 -7.40547034 +0 -9.04178745 +0 N(ATOM 1306 N PHE A 86) -1.58657814 +0 -8.79558305 +0 -4.97169455 +0 C(ATOM 1307 CA PHE A 86) -2.08029685 +0 -9.20915237 +0 -3.66550547 +0 C(ATOM 1308 C PHE A 86) -1.54239964 +0 -10.63378153 +0 -3.44059200 +0 O(ATOM 1309 O PHE A 86) -1.49938317 +0 -11.42730895 +0 -4.36821790 +0 C(ATOM 1310 CB PHE A 86) -3.62013591 +0 -9.35042903 +0 -3.65521848 +0 C(ATOM 1311 CG PHE A 86) -4.30239913 +0 -8.02646202 +0 -3.78161729 +0 C(ATOM 1312 CD1 PHE A 86) -4.59261355 +0 -7.51088087 +0 -5.04570936 +0 C(ATOM 1313 CD2 PHE A 86) -4.67149215 +0 -7.31358648 +0 -2.63924926 +0 C(ATOM 1314 CE1 PHE A 86) -5.26485954 +0 -6.29674923 +0 -5.16506530 +0 C(ATOM 1315 CE2 PHE A 86) -5.35475708 +0 -6.10661455 +0 -2.76329703 +0 C(ATOM 1316 CZ PHE A 86) -5.65381277 +0 -5.59608632 +0 -4.02537966 +0 H(ATOM 1317 H PHE A 86) -1.82691991 +0 -9.41807253 +0 -5.75289051 +0 H(ATOM 1318 HA PHE A 86) -1.74453561 +0 -8.48515633 +0 -2.86809770 +0 H(ATOM 1319 1HB PHE A 86) -3.92394064 +0 -9.85711357 +0 -2.71248612 +0 H(ATOM 1320 2HB PHE A 86) -3.93521188 +0 -10.03266840 +0 -4.47436931 +0 H(ATOM 1321 HD1 PHE A 86) -4.27722033 +0 -8.04793335 +0 -5.93905846 +0 H(ATOM 1322 HD2 PHE A 86) -4.41349030 +0 -7.69431769 +0 -1.65077549 +0 H(ATOM 1323 HE1 PHE A 86) -5.47775702 +0 -5.89908796 +0 -6.15413446 +0 H(ATOM 1324 HE2 PHE A 86) -5.65716956 +0 -5.55814331 +0 -1.86724563 +0 H(ATOM 1325 HZ PHE A 86) -6.18119623 +0 -4.64530959 +0 -4.11619238 +0 N(ATOM 1326 N CYS A 87) -1.17560420 +0 -10.96228998 +0 -2.17097842 +0 C(ATOM 1327 CA CYS A 87) -0.85002368 +0 -12.34511352 +0 -1.85082620 +0 C(ATOM 1328 C CYS A 87) -1.91820840 +0 -12.88040143 +0 -0.88299723 +0 O(ATOM 1329 O CYS A 87) -2.53468411 +0 -12.17564776 +0 -0.10082497 +0 C(ATOM 1330 CB CYS A 87) 0.47402163 +0 -12.47445049 +0 -1.08713245 +0 S(ATOM 1331 SG CYS A 87) 1.83647279 +0 -12.83401914 +0 -2.25006702 +0 H(ATOM 1332 H CYS A 87) -1.32354212 +0 -10.31549894 +0 -1.38830584 +0 H(ATOM 1333 HA CYS A 87) -0.84929021 +0 -12.96625629 +0 -2.80451753 +0 H(ATOM 1334 1HB CYS A 87) 0.67754833 +0 -11.56470212 +0 -0.48483862 +0 H(ATOM 1335 2HB CYS A 87) 0.43413586 +0 -13.30182601 +0 -0.34837451 +0 H(ATOM 1336 HG CYS A 87) 2.87207035 +0 -12.28099546 +0 -1.57932774 +0 N(ATOM 1337 N THR A 88) -2.08830476 +0 -14.23557110 +0 -0.91092616 +0 C(ATOM 1338 CA THR A 88) -2.78987864 +0 -14.87271470 +0 0.18871578 +0 C(ATOM 1339 C THR A 88) -2.21043884 +0 -16.26594713 +0 0.41482729 +0 O(ATOM 1340 O THR A 88) -1.68109119 +0 -16.93512504 +0 -0.45370965 +0 C(ATOM 1341 CB THR A 88) -4.31383998 +0 -15.02056403 +0 -0.12039936 +0 O(ATOM 1342 OG1 THR A 88) -4.90243159 +0 -15.59049855 +0 1.02243260 +0 C(ATOM 1343 CG2 THR A 88) -4.59072748 +0 -15.97285365 +0 -1.27532522 +0 H(ATOM 1344 H THR A 88) -1.65594963 +0 -14.83691175 +0 -1.61586604 +0 H(ATOM 1345 HA THR A 88) -2.68253656 +0 -14.23799805 +0 1.12345692 +0 H(ATOM 1346 HB THR A 88) -4.75414092 +0 -14.00855270 +0 -0.29095963 +0 H(ATOM 1347 HG1 THR A 88) -5.07058723 +0 -14.90558587 +0 1.72342327 +0 H(ATOM 1348 1HG2 THR A 88) -5.66970932 +0 -16.14660477 +0 -1.38605744 +0 H(ATOM 1349 2HG2 THR A 88) -4.19870358 +0 -15.56515761 +0 -2.21549675 +0 H(ATOM 1350 3HG2 THR A 88) -4.13119752 +0 -16.95697561 +0 -1.11436012 +0 N(ATOM 1351 N ASP A 89) -2.37406049 +0 -16.73846368 +0 1.69121403 +0 C(ATOM 1352 CA ASP A 89) -2.11385870 +0 -18.13887003 +0 2.02373412 +0 C(ATOM 1353 C ASP A 89) -3.38283735 +0 -18.76688499 +0 2.65235390 +0 O(ATOM 1354 O ASP A 89) -3.30994756 +0 -19.77792493 +0 3.32431890 +0 C(ATOM 1355 CB ASP A 89) -0.91447383 +0 -18.17343009 +0 2.98470219 +0 C(ATOM 1356 CG ASP A 89) -0.48910410 +0 -19.51759978 +0 3.46126704 +0 O(ATOM 1357 OD1 ASP A 89) -0.90078759 +0 -20.53781114 +0 2.68781044 +0 O(ATOM 1358 OD2 ASP A 89) 0.22483507 +0 -19.73334778 +0 4.41641591 +0 H(ATOM 1359 H ASP A 89) -2.88246965 +0 -16.17740587 +0 2.37955543 +0 H(ATOM 1360 HA ASP A 89) -1.85476432 +0 -18.72270443 +0 1.09000668 +0 H(ATOM 1361 1HB ASP A 89) -1.09878207 +0 -17.52657074 +0 3.88024895 +0 H(ATOM 1362 2HB ASP A 89) -0.03662111 +0 -17.68236034 +0 2.47430311 +0 H(ATOM 1363 HD1 ASP A 89) -0.78401372 +0 -21.43906526 +0 3.11339947 +0 N(ATOM 1364 N SER A 90) -4.59952288 +0 -18.19213415 +0 2.36456201 +0 C(ATOM 1365 CA SER A 90) -5.80198895 +0 -18.58301382 +0 3.10063796 +0 C(ATOM 1366 C SER A 90) -6.90932256 +0 -18.93927244 +0 2.10246721 +0 O(ATOM 1367 O SER A 90) -8.02695054 +0 -18.44803025 +0 2.14073797 +0 C(ATOM 1368 CB SER A 90) -6.30115756 +0 -17.44322220 +0 4.03016769 +0 O(ATOM 1369 OG SER A 90) -6.47102757 +0 -16.23774906 +0 3.32812300 +0 H(ATOM 1370 H SER A 90) -4.67233116 +0 -17.28883475 +0 1.88404960 +0 H(ATOM 1371 HA SER A 90) -5.59083401 +0 -19.48916201 +0 3.74605240 +0 H(ATOM 1372 1HB SER A 90) -7.30832272 +0 -17.68538400 +0 4.41926129 +0 H(ATOM 1373 2HB SER A 90) -5.60499641 +0 -17.30307609 +0 4.87772706 +0 H(ATOM 1374 HG SER A 90) -5.64173175 +0 -15.69898380 +0 3.35209570 +0 N(ATOM 1375 N ILE A 91) -6.59584810 +0 -19.85762948 +0 1.12871689 +0 C(ATOM 1376 CA ILE A 91) -7.59404620 +0 -20.14991672 +0 0.10975083 +0 C(ATOM 1377 C ILE A 91) -8.61133008 +0 -21.19008413 +0 0.61249564 +0 O(ATOM 1378 O ILE A 91) -8.38865765 +0 -22.02508930 +0 1.46958958 +0 C(ATOM 1379 CB ILE A 91) -7.02062073 +0 -20.65930143 +0 -1.23677047 +0 C(ATOM 1380 CG1 ILE A 91) -6.08613072 +0 -21.86780188 +0 -1.07852668 +0 C(ATOM 1381 CG2 ILE A 91) -6.35929773 +0 -19.49185225 +0 -1.96862770 +0 C(ATOM 1382 CD1 ILE A 91) -6.02821899 +0 -22.68296672 +0 -2.37139979 +0 H(ATOM 1383 H ILE A 91) -5.73299184 +0 -20.37906575 +0 1.13337146 +0 H(ATOM 1384 HA ILE A 91) -8.15998988 +0 -19.18269367 +0 -0.09107063 +0 H(ATOM 1385 HB ILE A 91) -7.90253958 +0 -20.99286257 +0 -1.85236971 +0 H(ATOM 1386 1HG1 ILE A 91) -5.07221868 +0 -21.54593352 +0 -0.78449896 +0 H(ATOM 1387 2HG1 ILE A 91) -6.44805895 +0 -22.52030688 +0 -0.25409285 +0 H(ATOM 1388 1HG2 ILE A 91) -7.09232308 +0 -18.70621256 +0 -2.19518393 +0 H(ATOM 1389 2HG2 ILE A 91) -5.56404763 +0 -19.03180371 +0 -1.37183738 +0 H(ATOM 1390 3HG2 ILE A 91) -5.92100821 +0 -19.81895142 +0 -2.91894964 +0 H(ATOM 1391 1HD1 ILE A 91) -5.33483449 +0 -23.52800305 +0 -2.27458962 +0 H(ATOM 1392 2HD1 ILE A 91) -7.01467482 +0 -23.09747651 +0 -2.62860513 +0 H(ATOM 1393 3HD1 ILE A 91) -5.69670097 +0 -22.07663482 +0 -3.22083772 +0 N(ATOM 1394 N GLN A 92) -9.81247924 +0 -21.10511641 +0 -0.03925057 +0 C(ATOM 1395 CA GLN A 92) -10.97315880 +0 -21.89438568 +0 0.34726529 +0 C(ATOM 1396 C GLN A 92) -11.42157008 +0 -22.57636229 +0 -0.95698868 +0 O(ATOM 1397 O GLN A 92) -11.80160158 +0 -21.91942304 +0 -1.92238382 +0 C(ATOM 1398 CB GLN A 92) -12.11579988 +0 -20.97087783 +0 0.80437459 +0 C(ATOM 1399 CG GLN A 92) -11.76849904 +0 -20.26078938 +0 2.10894980 +0 C(ATOM 1400 CD GLN A 92) -12.59245832 +0 -19.01083741 +0 2.27020857 +0 O(ATOM 1401 OE1 GLN A 92) -13.32130922 +0 -18.55668919 +0 1.38542348 +0 N(ATOM 1402 NE2 GLN A 92) -12.52695903 +0 -18.37577531 +0 3.47517496 +0 H(ATOM 1403 H GLN A 92) -10.01914343 +0 -20.34343254 +0 -0.69965927 +0 H(ATOM 1404 HA GLN A 92) -10.71113588 +0 -22.63476958 +0 1.15009980 +0 H(ATOM 1405 1HB GLN A 92) -12.31285980 +0 -20.22059902 +0 0.00041253 +0 H(ATOM 1406 2HB GLN A 92) -13.05489631 +0 -21.54858247 +0 0.91856256 +0 H(ATOM 1407 1HG GLN A 92) -10.68664473 +0 -19.99297801 +0 2.14461329 +0 H(ATOM 1408 2HG GLN A 92) -11.91366791 +0 -20.94289757 +0 2.97838780 +0 H(ATOM 1409 1HE2 GLN A 92) -11.88646898 +0 -18.68324511 +0 4.19399423 +0 H(ATOM 1410 2HE2 GLN A 92) -13.02659564 +0 -17.52025864 +0 3.64861715 +0 N(ATOM 1411 N GLY A 93) -11.39632311 +0 -23.93511679 +0 -0.97172174 +0 C(ATOM 1412 CA GLY A 93) -11.65841947 +0 -24.66099088 +0 -2.20225783 +0 C(ATOM 1413 C GLY A 93) -10.36394564 +0 -25.22462149 +0 -2.78952637 +0 O(ATOM 1414 O GLY A 93) -9.26230940 +0 -24.99122681 +0 -2.32018379 +0 H(ATOM 1415 H GLY A 93) -10.99946618 +0 -24.47117995 +0 -0.20217349 +0 H(ATOM 1416 1HA GLY A 93) -12.15614963 +0 -23.99871484 +0 -2.96340276 +0 H(ATOM 1417 2HA GLY A 93) -12.37458124 +0 -25.49918273 +0 -1.98718011 +0 N(ATOM 1418 N THR A 94) -10.56840109 +0 -26.03039931 +0 -3.87420632 +0 C(ATOM 1419 CA THR A 94) -9.48642661 +0 -26.62722154 +0 -4.65138905 +0 C(ATOM 1420 C THR A 94) -9.53467298 +0 -25.92972677 +0 -6.01553155 +0 O(ATOM 1421 O THR A 94) -10.61377717 +0 -25.80852305 +0 -6.58212078 +0 C(ATOM 1422 CB THR A 94) -9.79456365 +0 -28.14602125 +0 -4.82442516 +0 O(ATOM 1423 OG1 THR A 94) -9.67304981 +0 -28.76179319 +0 -3.55540841 +0 C(ATOM 1424 CG2 THR A 94) -8.78848618 +0 -28.84390938 +0 -5.72051304 +0 H(ATOM 1425 H THR A 94) -11.52386016 +0 -26.14672112 +0 -4.26519622 +0 H(ATOM 1426 HA THR A 94) -8.49948642 +0 -26.50168677 +0 -4.13288699 +0 H(ATOM 1427 HB THR A 94) -10.84497533 +0 -28.29320906 +0 -5.17531839 +0 H(ATOM 1428 HG1 THR A 94) -10.18547851 +0 -28.26064443 +0 -2.87970742 +0 H(ATOM 1429 1HG2 THR A 94) -9.02194507 +0 -29.91688142 +0 -5.79973144 +0 H(ATOM 1430 2HG2 THR A 94) -8.79439130 +0 -28.43401975 +0 -6.73940097 +0 H(ATOM 1431 3HG2 THR A 94) -7.76579072 +0 -28.77774047 +0 -5.32561323 +0 N(ATOM 1432 N PRO A 95) -8.40340762 +0 -25.40184439 +0 -6.55130567 +0 C(ATOM 1433 CA PRO A 95) -8.44943045 +0 -24.63464017 +0 -7.79861693 +0 C(ATOM 1434 C PRO A 95) -8.82697739 +0 -25.54591090 +0 -8.97689462 +0 O(ATOM 1435 O PRO A 95) -8.37204617 +0 -26.66427746 +0 -9.13994938 +0 C(ATOM 1436 CB PRO A 95) -7.02774196 +0 -24.07950607 +0 -8.00214156 +0 C(ATOM 1437 CG PRO A 95) -6.11167679 +0 -24.93528954 +0 -7.11007871 +0 C(ATOM 1438 CD PRO A 95) -7.02505880 +0 -25.64258074 +0 -6.08924457 +0 H(ATOM 1439 HA PRO A 95) -9.20446726 +0 -23.80479213 +0 -7.68641414 +0 H(ATOM 1440 1HB PRO A 95) -6.99210973 +0 -23.01481985 +0 -7.70404698 +0 H(ATOM 1441 2HB PRO A 95) -6.71724108 +0 -24.11456736 +0 -9.06038381 +0 H(ATOM 1442 1HG PRO A 95) -5.56039099 +0 -25.67995377 +0 -7.71259389 +0 H(ATOM 1443 2HG PRO A 95) -5.35037905 +0 -24.31744079 +0 -6.60526757 +0 H(ATOM 1444 1HD PRO A 95) -6.81572050 +0 -26.73565396 +0 -6.04822059 +0 H(ATOM 1445 2HD PRO A 95) -6.89275240 +0 -25.23732432 +0 -5.06002659 +0 N(ATOM 1446 N VAL A 96) -9.68926419 +0 -24.97422575 +0 -9.86872695 +0 C(ATOM 1447 CA VAL A 96) -10.20752506 +0 -25.72973845 +0 -10.99927025 +0 C(ATOM 1448 C VAL A 96) -9.94123284 +0 -24.86483225 +0 -12.24346696 +0 O(ATOM 1449 O VAL A 96) -9.73796281 +0 -23.65838411 +0 -12.17241606 +0 C(ATOM 1450 CB VAL A 96) -11.72054148 +0 -26.06294544 +0 -10.86757042 +0 C(ATOM 1451 CG1 VAL A 96) -11.94076857 +0 -26.94615373 +0 -9.63702988 +0 C(ATOM 1452 CG2 VAL A 96) -12.58259013 +0 -24.80764876 +0 -10.77766921 +0 H(ATOM 1453 H VAL A 96) -10.08629001 +0 -24.04261520 +0 -9.73765054 +0 H(ATOM 1454 HA VAL A 96) -9.64254663 +0 -26.70669154 +0 -11.09136468 +0 H(ATOM 1455 HB VAL A 96) -12.01541864 +0 -26.64216171 +0 -11.78050768 +0 H(ATOM 1456 1HG1 VAL A 96) -11.31909069 +0 -27.84790637 +0 -9.65917882 +0 H(ATOM 1457 2HG1 VAL A 96) -11.69456291 +0 -26.41450463 +0 -8.70503403 +0 H(ATOM 1458 3HG1 VAL A 96) -12.98621764 +0 -27.26554997 +0 -9.55891747 +0 H(ATOM 1459 1HG2 VAL A 96) -12.46414840 +0 -24.15926432 +0 -11.65473871 +0 H(ATOM 1460 2HG2 VAL A 96) -13.64748973 +0 -25.06440296 +0 -10.71247307 +0 H(ATOM 1461 3HG2 VAL A 96) -12.34384944 +0 -24.20688560 +0 -9.89003073 +0 N(ATOM 1462 N GLU A 97) -9.86326942 +0 -25.55179905 +0 -13.41842543 +0 C(ATOM 1463 CA GLU A 97) -9.59882908 +0 -24.88137700 +0 -14.68860624 +0 C(ATOM 1464 C GLU A 97) -10.84274867 +0 -24.07710418 +0 -15.11173982 +0 O(ATOM 1465 O GLU A 97) -11.97463469 +0 -24.53139576 +0 -15.01996988 +0 C(ATOM 1466 CB GLU A 97) -9.28587980 +0 -25.96071526 +0 -15.74139425 +0 C(ATOM 1467 CG GLU A 97) -8.96778640 +0 -25.35861153 +0 -17.10062011 +0 C(ATOM 1468 CD GLU A 97) -8.37052745 +0 -26.40271643 +0 -18.03327064 +0 O(ATOM 1469 OE1 GLU A 97) -8.18622678 +0 -27.56149970 +0 -17.65643498 +0 O(ATOM 1470 OE2 GLU A 97) -8.09849674 +0 -25.99648374 +0 -19.20220912 +0 H(ATOM 1471 H GLU A 97) -10.14476962 +0 -26.53568711 +0 -13.47597799 +0 H(ATOM 1472 HA GLU A 97) -8.72232257 +0 -24.18099727 +0 -14.56345823 +0 H(ATOM 1473 1HB GLU A 97) -10.14020041 +0 -26.66830652 +0 -15.83095435 +0 H(ATOM 1474 2HB GLU A 97) -8.43208439 +0 -26.58422182 +0 -15.38932411 +0 H(ATOM 1475 1HG GLU A 97) -9.88134695 +0 -24.93460736 +0 -17.56719137 +0 H(ATOM 1476 2HG GLU A 97) -8.26937803 +0 -24.49984958 +0 -17.01919212 +0 N(ATOM 1477 N SER A 98) -10.59318163 +0 -22.80865652 +0 -15.54966730 +0 C(ATOM 1478 CA SER A 98) -11.63028752 +0 -21.97542566 +0 -16.13917792 +0 C(ATOM 1479 C SER A 98) -11.33872554 +0 -21.84330244 +0 -17.64007619 +0 O(ATOM 1480 O SER A 98) -10.34144049 +0 -22.32543995 +0 -18.15320545 +0 C(ATOM 1481 CB SER A 98) -11.58915059 +0 -20.56500505 +0 -15.49932966 +0 O(ATOM 1482 OG SER A 98) -10.28895475 +0 -20.03943502 +0 -15.63027962 +0 H(ATOM 1483 H SER A 98) -9.63547087 +0 -22.46847347 +0 -15.70207173 +0 H(ATOM 1484 HA SER A 98) -12.65268016 +0 -22.42995720 +0 -15.98523175 +0 H(ATOM 1485 1HB SER A 98) -12.24263690 +0 -19.84840972 +0 -16.03478636 +0 H(ATOM 1486 2HB SER A 98) -11.88975955 +0 -20.60079703 +0 -14.43406603 +0 H(ATOM 1487 HG SER A 98) -9.78902831 +0 -20.15746625 +0 -14.78074688 +0 N(ATOM 1488 N ASP A 99) -12.20852984 +0 -21.06900962 +0 -18.35908912 +0 C(ATOM 1489 CA ASP A 99) -11.92215654 +0 -20.76607840 +0 -19.75986859 +0 C(ATOM 1490 C ASP A 99) -10.62287714 +0 -19.94143163 +0 -19.89135166 +0 O(ATOM 1491 O ASP A 99) -9.91076181 +0 -20.05736492 +0 -20.88221523 +0 C(ATOM 1492 CB ASP A 99) -13.07474995 +0 -19.96475460 +0 -20.37810445 +0 C(ATOM 1493 CG ASP A 99) -14.24543288 +0 -20.86216111 +0 -20.64001746 +0 O(ATOM 1494 OD1 ASP A 99) -14.23626156 +0 -22.06180825 +0 -20.75076295 +0 O(ATOM 1495 OD2 ASP A 99) -15.38098713 +0 -20.15056720 +0 -20.76909204 +0 H(ATOM 1496 H ASP A 99) -13.11914656 +0 -20.77192145 +0 -17.97983074 +0 H(ATOM 1497 HA ASP A 99) -11.76659745 +0 -21.72991518 +0 -20.33425976 +0 H(ATOM 1498 1HB ASP A 99) -12.75997444 +0 -19.49639048 +0 -21.34522122 +0 H(ATOM 1499 2HB ASP A 99) -13.35810896 +0 -19.09809304 +0 -19.73168135 +0 H(ATOM 1500 HD2 ASP A 99) -16.19496274 +0 -20.69211228 +0 -21.02404007 +0 N(ATOM 1501 N GLU A 100) -10.26502829 +0 -19.10296327 +0 -18.88064050 +0 C(ATOM 1502 CA GLU A 100) -9.05060123 +0 -18.30312981 +0 -19.00132386 +0 C(ATOM 1503 C GLU A 100) -7.81272623 +0 -19.00618110 +0 -18.41499459 +0 O(ATOM 1504 O GLU A 100) -6.70641127 +0 -18.65945261 +0 -18.81141687 +0 C(ATOM 1505 CB GLU A 100) -9.17213269 +0 -16.98921538 +0 -18.20899276 +0 C(ATOM 1506 CG GLU A 100) -9.94447548 +0 -15.93272578 +0 -18.99947624 +0 C(ATOM 1507 CD GLU A 100) -10.14547159 +0 -14.76564028 +0 -18.08329309 +0 O(ATOM 1508 OE1 GLU A 100) -10.93060955 +0 -14.79239317 +0 -17.15423822 +0 O(ATOM 1509 OE2 GLU A 100) -9.31229241 +1 -13.75301699 +1 -18.27381577 +1 H(ATOM 1510 H GLU A 100) -10.88365488 +0 -18.90255087 +0 -18.08488583 +0 H(ATOM 1511 HA GLU A 100) -8.83612329 +0 -18.09309139 +0 -20.08990687 +0 H(ATOM 1512 1HB GLU A 100) -8.15839648 +0 -16.59931636 +0 -17.95965492 +0 H(ATOM 1513 2HB GLU A 100) -9.66883589 +0 -17.18191030 +0 -17.22903723 +0 H(ATOM 1514 1HG GLU A 100) -9.42487084 +0 -15.64312756 +0 -19.93709852 +0 H(ATOM 1515 2HG GLU A 100) -10.94446893 +0 -16.32200635 +0 -19.31765270 +0 H(ATOM 1516 HE2 GLU A 100) -9.28367410 +1 -13.01084211 +1 -17.52547797 +1 N(ATOM 1517 N MET A 101) -7.93844333 +0 -19.88443626 +0 -17.38335862 +0 C(ATOM 1518 CA MET A 101) -6.72801128 +0 -20.29003694 +0 -16.66965915 +0 C(ATOM 1519 C MET A 101) -6.75293460 +0 -21.79499764 +0 -16.37597818 +0 O(ATOM 1520 O MET A 101) -7.71789696 +0 -22.39487781 +0 -15.93613533 +0 C(ATOM 1521 CB MET A 101) -6.63418589 +0 -19.59474067 +0 -15.29203903 +0 C(ATOM 1522 CG MET A 101) -6.17408778 +0 -18.14710448 +0 -15.37289772 +0 S(ATOM 1523 SD MET A 101) -4.40913183 +0 -18.05731474 +0 -15.87792968 +0 C(ATOM 1524 CE MET A 101) -3.79573534 +0 -16.60383212 +0 -14.98749796 +0 H(ATOM 1525 H MET A 101) -8.83863739 +0 -20.17248035 +0 -17.00162121 +0 H(ATOM 1526 HA MET A 101) -5.82482931 +0 -20.03632299 +0 -17.31453441 +0 H(ATOM 1527 1HB MET A 101) -7.63289610 +0 -19.63868603 +0 -14.79830604 +0 H(ATOM 1528 2HB MET A 101) -5.96914969 +0 -20.18584156 +0 -14.62519360 +0 H(ATOM 1529 1HG MET A 101) -6.78408575 +0 -17.56963264 +0 -16.08934640 +0 H(ATOM 1530 2HG MET A 101) -6.28935953 +0 -17.64969304 +0 -14.39036299 +0 H(ATOM 1531 1HE MET A 101) -2.78968230 +0 -16.37898356 +0 -15.37117961 +0 H(ATOM 1532 2HE MET A 101) -4.41795231 +1 -15.71357612 +1 -15.14188994 +1 H(ATOM 1533 3HE MET A 101) -3.70480023 +0 -16.78139498 +0 -13.90897835 +0 N(ATOM 1534 N ARG A 102) -5.54045716 +0 -22.41770443 +0 -16.52492460 +0 C(ATOM 1535 CA ARG A 102) -5.36879174 +0 -23.81948463 +0 -16.13442380 +0 C(ATOM 1536 C ARG A 102) -4.40956570 +0 -23.79187899 +0 -14.92737287 +0 O(ATOM 1537 O ARG A 102) -3.25959183 +0 -23.39368723 +0 -15.04256770 +0 C(ATOM 1538 CB ARG A 102) -4.76905230 +0 -24.61263844 +0 -17.30088289 +0 C(ATOM 1539 CG ARG A 102) -4.27067723 +0 -25.99283952 +0 -16.87312379 +0 C(ATOM 1540 CD ARG A 102) -3.99845805 +0 -26.85291698 +0 -18.12260116 +0 N(ATOM 1541 NE ARG A 102) -2.91789705 +0 -26.24957569 +0 -18.91186516 +0 C(ATOM 1542 CZ ARG A 102) -1.59701893 +0 -26.57543537 +0 -18.66371600 +0 N(ATOM 1543 NH1 ARG A 102) -1.24294203 +0 -27.32298145 +0 -17.65059831 +0 N(ATOM 1544 NH2 ARG A 102) -0.67435165 +0 -26.08118156 +0 -19.62226216 +0 H(ATOM 1545 H ARG A 102) -4.77005692 +0 -21.96709453 +0 -17.02997417 +0 H(ATOM 1546 HA ARG A 102) -6.36195702 +0 -24.26369358 +0 -15.84829033 +0 H(ATOM 1547 1HB ARG A 102) -5.53979353 +0 -24.71062011 +0 -18.09456191 +0 H(ATOM 1548 2HB ARG A 102) -3.93050208 +0 -24.04958035 +0 -17.76315516 +0 H(ATOM 1549 1HG ARG A 102) -5.00220356 +0 -26.50593307 +0 -16.22405721 +0 H(ATOM 1550 2HG ARG A 102) -3.33359769 +0 -25.89458884 +0 -16.28137843 +0 H(ATOM 1551 1HD ARG A 102) -3.75285657 +0 -27.89893058 +0 -17.82494360 +0 H(ATOM 1552 2HD ARG A 102) -4.91387678 +0 -26.91359509 +0 -18.75692198 +0 H(ATOM 1553 HE ARG A 102) -3.17911212 +0 -25.85807755 +0 -19.81421394 +0 H(ATOM 1554 HH1 ARG A 102) -0.26029739 +0 -27.44929100 +0 -17.45886496 +0 H(ATOM 1555 1HH2 ARG A 102) 0.25335502 +0 -25.86509092 +0 -19.28445693 +0 H(ATOM 1556 2HH2 ARG A 102) -0.99723068 +0 -25.41370064 +0 -20.30577603 +0 N(ATOM 1557 N PRO A 103) -4.82663502 +0 -24.24691380 +0 -13.70335832 +0 C(ATOM 1558 CA PRO A 103) -4.05648808 +0 -23.87507125 +0 -12.50266725 +0 C(ATOM 1559 C PRO A 103) -3.19148990 +0 -25.06416584 +0 -12.06186466 +0 O(ATOM 1560 O PRO A 103) -3.64634605 +0 -26.20159866 +0 -12.01297133 +0 C(ATOM 1561 CB PRO A 103) -5.11034537 +0 -23.64370027 +0 -11.39728489 +0 C(ATOM 1562 CG PRO A 103) -6.26294216 +0 -24.57640176 +0 -11.80286272 +0 C(ATOM 1563 CD PRO A 103) -6.23041103 +0 -24.55751714 +0 -13.34552414 +0 H(ATOM 1564 HA PRO A 103) -3.42483412 +0 -22.96474769 +0 -12.68983596 +0 H(ATOM 1565 1HB PRO A 103) -5.45122509 +0 -22.58789270 +0 -11.39996883 +0 H(ATOM 1566 2HB PRO A 103) -4.72067765 +0 -23.84920948 +0 -10.39027689 +0 H(ATOM 1567 1HG PRO A 103) -6.09741995 +0 -25.60050370 +0 -11.42166688 +0 H(ATOM 1568 2HG PRO A 103) -7.23332855 +0 -24.23347182 +0 -11.40592821 +0 H(ATOM 1569 1HD PRO A 103) -6.51471038 +0 -25.53999582 +0 -13.77563273 +0 H(ATOM 1570 2HD PRO A 103) -6.91438976 +0 -23.76889147 +0 -13.74202389 +0 N(ATOM 1571 N CYS A 104) -1.93707837 +0 -24.75898116 +0 -11.63958653 +0 C(ATOM 1572 CA CYS A 104) -1.01091981 +0 -25.77934843 +0 -11.15670633 +0 C(ATOM 1573 C CYS A 104) -0.25324727 +0 -25.16169145 +0 -9.96026322 +0 O(ATOM 1574 O CYS A 104) 0.00607085 +0 -23.97394301 +0 -9.88894972 +0 C(ATOM 1575 CB CYS A 104) 0.05364115 +0 -26.12659577 +0 -12.20363881 +0 S(ATOM 1576 SG CYS A 104) -0.57495014 +0 -27.42029687 +0 -13.34097092 +0 H(ATOM 1577 H CYS A 104) -1.55788304 +0 -23.80331577 +0 -11.69080355 +0 H(ATOM 1578 HA CYS A 104) -1.58934930 +0 -26.68784317 +0 -10.82217850 +0 H(ATOM 1579 1HB CYS A 104) 0.34862992 +0 -25.22404711 +0 -12.78000567 +0 H(ATOM 1580 2HB CYS A 104) 0.98511661 +0 -26.48971106 +0 -11.72131460 +0 H(ATOM 1581 HG CYS A 104) 0.49481932 +0 -27.51000118 +0 -14.14926066 +0 N(ATOM 1582 N TRP A 105) 0.12628385 +0 -26.03562817 +0 -8.98447001 +0 C(ATOM 1583 CA TRP A 105) 0.98317222 +0 -25.57840909 +0 -7.89488108 +0 C(ATOM 1584 C TRP A 105) 2.44486719 +0 -25.78043041 +0 -8.34587290 +0 O(ATOM 1585 O TRP A 105) 2.80581694 +0 -26.75862836 +0 -8.97224850 +0 C(ATOM 1586 CB TRP A 105) 0.76225311 +0 -26.43843211 +0 -6.63521070 +0 C(ATOM 1587 CG TRP A 105) -0.54794816 +0 -26.15703682 +0 -6.02108687 +0 C(ATOM 1588 CD1 TRP A 105) -1.70029940 +0 -26.92342912 +0 -6.13178405 +0 N(ATOM 1589 NE1 TRP A 105) -2.72419132 +0 -26.34831583 +0 -5.38090427 +0 C(ATOM 1590 CD2 TRP A 105) -0.85433257 +0 -25.04750524 +0 -5.16144692 +0 C(ATOM 1591 CE2 TRP A 105) -2.21798636 +0 -25.20919434 +0 -4.75613986 +0 C(ATOM 1592 CE3 TRP A 105) -0.12810140 +0 -23.94954238 +0 -4.68769678 +0 C(ATOM 1593 CZ2 TRP A 105) -2.84023949 +0 -24.31662357 +0 -3.87356674 +0 C(ATOM 1594 CZ3 TRP A 105) -0.74685740 +0 -23.06671395 +0 -3.82313764 +0 C(ATOM 1595 CH2 TRP A 105) -2.08617167 +0 -23.25497548 +0 -3.41525121 +0 H(ATOM 1596 H TRP A 105) -0.08781396 +0 -27.02576088 +0 -9.00584500 +0 H(ATOM 1597 HA TRP A 105) 0.77776825 +0 -24.49110254 +0 -7.67198493 +0 H(ATOM 1598 1HB TRP A 105) 1.57988143 +0 -26.23780858 +0 -5.90732569 +0 H(ATOM 1599 2HB TRP A 105) 0.86436518 +0 -27.52150297 +0 -6.88622114 +0 H(ATOM 1600 HD1 TRP A 105) -1.87049380 +0 -27.82687307 +0 -6.69507433 +0 H(ATOM 1601 HE1 TRP A 105) -3.61978585 +0 -26.75621740 +0 -5.20026375 +0 H(ATOM 1602 HE3 TRP A 105) 0.90317949 +0 -23.80106921 +0 -5.00396757 +0 H(ATOM 1603 HZ2 TRP A 105) -3.86065346 +0 -24.48287907 +0 -3.54163712 +0 H(ATOM 1604 HZ3 TRP A 105) -0.19919590 +0 -22.20553160 +0 -3.44081116 +0 H(ATOM 1605 HH2 TRP A 105) -2.52500616 +0 -22.55176295 +0 -2.70897539 +0 N(ATOM 1606 N PHE A 106) 3.32661097 +0 -24.82205706 +0 -7.91637719 +0 C(ATOM 1607 CA PHE A 106) 4.72656890 +0 -24.87553311 +0 -8.31482435 +0 C(ATOM 1608 C PHE A 106) 5.53237103 +0 -24.78374050 +0 -7.00954803 +0 O(ATOM 1609 O PHE A 106) 5.24403094 +0 -24.02200387 +0 -6.09935096 +0 C(ATOM 1610 CB PHE A 106) 5.13649073 +0 -23.68904605 +0 -9.21297845 +0 C(ATOM 1611 CG PHE A 106) 4.57920444 +0 -23.86435978 +0 -10.59232710 +0 C(ATOM 1612 CD1 PHE A 106) 3.27096858 +0 -23.46993185 +0 -10.88302545 +0 C(ATOM 1613 CD2 PHE A 106) 5.36805196 +0 -24.44137053 +0 -11.58981361 +0 C(ATOM 1614 CE1 PHE A 106) 2.75433099 +0 -23.66019069 +0 -12.16257243 +0 C(ATOM 1615 CE2 PHE A 106) 4.84513148 +0 -24.63619913 +0 -12.86611862 +0 C(ATOM 1616 CZ PHE A 106) 3.53876326 +0 -24.24668174 +0 -13.15344630 +0 H(ATOM 1617 H PHE A 106) 3.00741617 +0 -23.92858734 +0 -7.53111287 +0 H(ATOM 1618 HA PHE A 106) 4.93770172 +0 -25.84455805 +0 -8.85408225 +0 H(ATOM 1619 1HB PHE A 106) 6.24763337 +0 -23.61112883 +0 -9.24037460 +0 H(ATOM 1620 2HB PHE A 106) 4.79325109 +0 -22.73332618 +0 -8.76326193 +0 H(ATOM 1621 HD1 PHE A 106) 2.64407391 +0 -23.02727247 +0 -10.10796933 +0 H(ATOM 1622 HD2 PHE A 106) 6.39536543 +0 -24.73704407 +0 -11.37431149 +0 H(ATOM 1623 HE1 PHE A 106) 1.73300462 +0 -23.35417037 +0 -12.39055759 +0 H(ATOM 1624 HE2 PHE A 106) 5.45882147 +0 -25.09701735 +0 -13.64000943 +0 H(ATOM 1625 HZ PHE A 106) 3.13004006 +0 -24.39749697 +0 -14.15388138 +0 N(ATOM 1626 N GLN A 107) 6.56837776 +0 -25.66980654 +0 -6.88109630 +0 C(ATOM 1627 CA GLN A 107) 7.49450936 +0 -25.49972901 +0 -5.76274747 +0 C(ATOM 1628 C GLN A 107) 8.24929514 +0 -24.17665697 +0 -5.99654467 +0 O(ATOM 1629 O GLN A 107) 8.34719149 +0 -23.68197266 +0 -7.10866869 +0 C(ATOM 1630 CB GLN A 107) 8.49501839 +0 -26.66537648 +0 -5.71505880 +0 C(ATOM 1631 CG GLN A 107) 7.79744843 +0 -27.98707599 +0 -5.39413238 +0 C(ATOM 1632 CD GLN A 107) 7.24644809 +0 -28.00378471 +0 -3.98885954 +0 O(ATOM 1633 OE1 GLN A 107) 6.04083842 +0 -27.93701640 +0 -3.74931906 +0 N(ATOM 1634 NE2 GLN A 107) 8.14260116 +0 -28.06945734 +0 -2.96009520 +0 H(ATOM 1635 H GLN A 107) 6.91557103 +0 -26.21836784 +0 -7.67652389 +0 H(ATOM 1636 HA GLN A 107) 6.90710699 +0 -25.43979721 +0 -4.79696356 +0 H(ATOM 1637 1HB GLN A 107) 9.28907278 +0 -26.45011439 +0 -4.97087369 +0 H(ATOM 1638 2HB GLN A 107) 9.02746662 +0 -26.75969828 +0 -6.68796213 +0 H(ATOM 1639 1HG GLN A 107) 6.97480626 +0 -28.18575209 +0 -6.11822745 +0 H(ATOM 1640 2HG GLN A 107) 8.50288217 +0 -28.83871262 +0 -5.54140752 +0 H(ATOM 1641 1HE2 GLN A 107) 7.82581162 +0 -28.13295946 +0 -2.00664468 +0 H(ATOM 1642 2HE2 GLN A 107) 9.10670041 +0 -28.32844043 +0 -3.11141866 +0 N(ATOM 1643 N LEU A 108) 8.76746889 +0 -23.55581012 +0 -4.89505936 +0 C(ATOM 1644 CA LEU A 108) 9.20456579 +0 -22.15988800 +0 -4.98129384 +0 C(ATOM 1645 C LEU A 108) 10.58266086 +0 -22.01920808 +0 -5.65001151 +0 O(ATOM 1646 O LEU A 108) 10.96216879 +0 -20.94882276 +0 -6.09293061 +0 C(ATOM 1647 CB LEU A 108) 9.22513174 +0 -21.51924681 +0 -3.58723651 +0 C(ATOM 1648 CG LEU A 108) 7.82864536 +0 -21.52393123 +0 -2.92972537 +0 C(ATOM 1649 CD1 LEU A 108) 7.89309262 +0 -20.79961921 +0 -1.58236179 +0 C(ATOM 1650 CD2 LEU A 108) 6.77011195 +0 -20.88364034 +0 -3.83401294 +0 H(ATOM 1651 H LEU A 108) 8.75399486 +0 -23.98965707 +0 -3.96735015 +0 H(ATOM 1652 HA LEU A 108) 8.49167251 +0 -21.59199537 +0 -5.65715264 +0 H(ATOM 1653 1HB LEU A 108) 9.94477015 +0 -22.05111249 +0 -2.92930539 +0 H(ATOM 1654 2HB LEU A 108) 9.60918689 +0 -20.48262129 +0 -3.67001716 +0 H(ATOM 1655 HG LEU A 108) 7.52920601 +0 -22.58556238 +0 -2.73755534 +0 H(ATOM 1656 1HD1 LEU A 108) 8.61025590 +0 -21.27595610 +0 -0.90223378 +0 H(ATOM 1657 2HD1 LEU A 108) 8.16533610 +0 -19.74312710 +0 -1.68989154 +0 H(ATOM 1658 3HD1 LEU A 108) 6.91942923 +0 -20.83142748 +0 -1.07129498 +0 H(ATOM 1659 1HD2 LEU A 108) 6.53977801 +0 -21.52159564 +0 -4.69632008 +0 H(ATOM 1660 2HD2 LEU A 108) 5.82948729 +0 -20.73577139 +0 -3.28641225 +0 H(ATOM 1661 3HD2 LEU A 108) 7.09148079 +0 -19.90789447 +0 -4.21102848 +0 N(ATOM 1662 N ASP A 109) 11.34635619 +0 -23.15290795 +0 -5.77351627 +0 C(ATOM 1663 CA ASP A 109) 12.54740238 +0 -23.17190045 +0 -6.59745286 +0 C(ATOM 1664 C ASP A 109) 12.28049824 +0 -23.71097846 +0 -8.02149215 +0 O(ATOM 1665 O ASP A 109) 13.22046094 +0 -23.95633804 +0 -8.76162986 +0 C(ATOM 1666 CB ASP A 109) 13.64542348 +0 -24.01787678 +0 -5.94902041 +0 C(ATOM 1667 CG ASP A 109) 13.33153498 +0 -25.44480525 +0 -5.66119822 +0 O(ATOM 1668 OD1 ASP A 109) 12.02954666 +0 -25.77352195 +0 -5.85292049 +0 O(ATOM 1669 OD2 ASP A 109) 14.11154748 +0 -26.28530005 +0 -5.28213162 +0 H(ATOM 1670 H ASP A 109) 11.04008595 +0 -24.04380740 +0 -5.39727897 +0 H(ATOM 1671 HA ASP A 109) 12.93297622 +0 -22.10913133 +0 -6.72284340 +0 H(ATOM 1672 1HB ASP A 109) 13.97526599 +0 -23.53134785 +0 -4.98981823 +0 H(ATOM 1673 2HB ASP A 109) 14.56764820 +0 -23.97926576 +0 -6.59336507 +0 H(ATOM 1674 HD1 ASP A 109) 11.80737884 +0 -26.71578142 +0 -5.61146819 +0 N(ATOM 1675 N GLN A 110) 10.98746823 +0 -23.85352357 +0 -8.43058899 +0 C(ATOM 1676 CA GLN A 110) 10.66815331 +0 -24.37354517 +0 -9.76296239 +0 C(ATOM 1677 C GLN A 110) 9.65079735 +0 -23.43205891 +0 -10.41674302 +0 O(ATOM 1678 O GLN A 110) 8.69871295 +0 -23.82649051 +0 -11.08171435 +0 C(ATOM 1679 CB GLN A 110) 10.10636091 +0 -25.80204013 +0 -9.65676825 +0 C(ATOM 1680 CG GLN A 110) 11.24190140 +0 -26.73948179 +0 -9.25246551 +0 C(ATOM 1681 CD GLN A 110) 10.79837422 +0 -28.16841019 +0 -9.12888629 +0 O(ATOM 1682 OE1 GLN A 110) 9.62033774 +0 -28.52992391 +0 -9.11527830 +0 N(ATOM 1683 NE2 GLN A 110) 11.78004951 +0 -29.10716450 +0 -9.02798598 +0 H(ATOM 1684 H GLN A 110) 10.19529949 +0 -23.71517401 +0 -7.80293207 +0 H(ATOM 1685 HA GLN A 110) 11.59742305 +0 -24.37753330 +0 -10.41172433 +0 H(ATOM 1686 1HB GLN A 110) 9.27252387 +0 -25.84310407 +0 -8.92711258 +0 H(ATOM 1687 2HB GLN A 110) 9.67125070 +0 -26.11054453 +0 -10.63101880 +0 H(ATOM 1688 1HG GLN A 110) 11.69292371 +0 -26.40857122 +0 -8.28813833 +0 H(ATOM 1689 2HG GLN A 110) 12.08037641 +0 -26.65745514 +0 -9.98858258 +0 H(ATOM 1690 1HE2 GLN A 110) 11.56562387 +0 -30.08143772 +0 -8.88562987 +0 H(ATOM 1691 2HE2 GLN A 110) 12.75488539 +0 -28.86250040 +0 -8.95432338 +0 N(ATOM 1692 N ILE A 111) 9.83987762 +0 -22.10053446 +0 -10.21068253 +0 C(ATOM 1693 CA ILE A 111) 8.88270996 +0 -21.15178051 +0 -10.77826005 +0 C(ATOM 1694 C ILE A 111) 9.23729313 +0 -20.99671629 +0 -12.26430695 +0 O(ATOM 1695 O ILE A 111) 10.39099771 +0 -20.83738891 +0 -12.64759655 +0 C(ATOM 1696 CB ILE A 111) 8.96062393 +0 -19.81129919 +0 -10.01201707 +0 C(ATOM 1697 CG1 ILE A 111) 8.33279833 +0 -20.02037188 +0 -8.61949765 +0 C(ATOM 1698 CG2 ILE A 111) 8.21844117 +0 -18.72434456 +0 -10.78415477 +0 C(ATOM 1699 CD1 ILE A 111) 8.81798833 +0 -18.95901621 +0 -7.64107461 +0 H(ATOM 1700 H ILE A 111) 10.66393022 +0 -21.71318611 +0 -9.74172616 +0 H(ATOM 1701 HA ILE A 111) 7.84572030 +0 -21.58219378 +0 -10.66629111 +0 H(ATOM 1702 HB ILE A 111) 10.03681448 +0 -19.51331807 +0 -9.90180837 +0 H(ATOM 1703 1HG1 ILE A 111) 8.59456979 +0 -21.02402445 +0 -8.22284989 +0 H(ATOM 1704 2HG1 ILE A 111) 7.22997767 +0 -20.00727754 +0 -8.69232523 +0 H(ATOM 1705 1HG2 ILE A 111) 8.69567093 +0 -18.52193199 +0 -11.75273735 +0 H(ATOM 1706 2HG2 ILE A 111) 7.17192949 +0 -18.99088618 +0 -10.96471360 +0 H(ATOM 1707 3HG2 ILE A 111) 8.22482789 +0 -17.77465387 +0 -10.23456255 +0 H(ATOM 1708 1HD1 ILE A 111) 8.27400783 +0 -19.01047466 +0 -6.69205429 +0 H(ATOM 1709 2HD1 ILE A 111) 9.88409283 +0 -19.10362967 +0 -7.40390361 +0 H(ATOM 1710 3HD1 ILE A 111) 8.70330550 +0 -17.94975395 +0 -8.05127243 +0 N(ATOM 1711 N PRO A 112) 8.23069019 +0 -21.04967071 +0 -13.18848361 +0 C(ATOM 1712 CA PRO A 112) 8.52227089 +0 -21.28022664 +0 -14.61216087 +0 C(ATOM 1713 C PRO A 112) 8.75087700 +0 -19.93520618 +0 -15.32893588 +0 O(ATOM 1714 O PRO A 112) 8.05439841 +0 -19.57273584 +0 -16.26499010 +0 C(ATOM 1715 CB PRO A 112) 7.27243888 +0 -22.00000353 +0 -15.15758056 +0 C(ATOM 1716 CG PRO A 112) 6.13156305 +0 -21.52622602 +0 -14.24453041 +0 C(ATOM 1717 CD PRO A 112) 6.80584981 +0 -21.30652704 +0 -12.87953888 +0 H(ATOM 1718 HA PRO A 112) 9.44546756 +0 -21.91015702 +0 -14.73454640 +0 H(ATOM 1719 1HB PRO A 112) 7.08496519 +0 -21.77099458 +0 -16.21782326 +0 H(ATOM 1720 2HB PRO A 112) 7.40547063 +0 -23.09693365 +0 -15.08411892 +0 H(ATOM 1721 1HG PRO A 112) 5.30829131 +0 -22.25754914 +0 -14.18337891 +0 H(ATOM 1722 2HG PRO A 112) 5.69184025 +0 -20.58659125 +0 -14.62659576 +0 H(ATOM 1723 1HD PRO A 112) 6.37950987 +0 -20.43369901 +0 -12.34136698 +0 H(ATOM 1724 2HD PRO A 112) 6.70006879 +0 -22.21069736 +0 -12.23494442 +0 N(ATOM 1725 N PHE A 113) 9.83203038 +0 -19.20566678 +0 -14.90365843 +0 C(ATOM 1726 CA PHE A 113) 10.05433766 +0 -17.82302263 +0 -15.33905792 +0 C(ATOM 1727 C PHE A 113) 10.17147853 +0 -17.69415152 +0 -16.86281171 +0 O(ATOM 1728 O PHE A 113) 9.72202514 +0 -16.69397838 +0 -17.42735156 +0 C(ATOM 1729 CB PHE A 113) 11.35627514 +0 -17.26593262 +0 -14.73538686 +0 C(ATOM 1730 CG PHE A 113) 11.17197673 +0 -16.93243274 +0 -13.29001553 +0 C(ATOM 1731 CD1 PHE A 113) 10.25063561 +0 -15.94826129 +0 -12.92302469 +0 C(ATOM 1732 CD2 PHE A 113) 11.92018908 +0 -17.58774936 +0 -12.31261807 +0 C(ATOM 1733 CE1 PHE A 113) 10.07061000 +0 -15.63224215 +0 -11.58084906 +0 C(ATOM 1734 CE2 PHE A 113) 11.74559532 +0 -17.25908739 +0 -10.96956234 +0 C(ATOM 1735 CZ PHE A 113) 10.82218077 +0 -16.28231108 +0 -10.60280397 +0 H(ATOM 1736 H PHE A 113) 10.34176999 +0 -19.50764672 +0 -14.06248658 +0 H(ATOM 1737 HA PHE A 113) 9.17318136 +0 -17.18945339 +0 -15.02359726 +0 H(ATOM 1738 1HB PHE A 113) 11.66752259 +0 -16.34570303 +0 -15.28916417 +0 H(ATOM 1739 2HB PHE A 113) 12.19511620 +0 -17.97996708 +0 -14.89263238 +0 H(ATOM 1740 HD1 PHE A 113) 9.67729419 +0 -15.43014588 +0 -13.69116736 +0 H(ATOM 1741 HD2 PHE A 113) 12.63856364 +0 -18.35843851 +0 -12.59179321 +0 H(ATOM 1742 HE1 PHE A 113) 9.33891666 +0 -14.87983204 +0 -11.29833393 +0 H(ATOM 1743 HE2 PHE A 113) 12.32805696 +0 -17.77559165 +0 -10.20620568 +0 H(ATOM 1744 HZ PHE A 113) 10.68789818 +0 -16.03756543 +0 -9.55350287 +0 N(ATOM 1745 N LYS A 114) 10.78498331 +0 -18.69300633 +0 -17.54688089 +0 C(ATOM 1746 CA LYS A 114) 10.95276720 +0 -18.59878190 +0 -18.99716495 +0 C(ATOM 1747 C LYS A 114) 9.59642684 +0 -18.65758639 +0 -19.72449957 +0 O(ATOM 1748 O LYS A 114) 9.46621792 +0 -18.20102293 +0 -20.84680581 +0 C(ATOM 1749 CB LYS A 114) 11.88408667 +0 -19.70019728 +0 -19.52380361 +0 C(ATOM 1750 CG LYS A 114) 11.41746491 +0 -21.12584940 +0 -19.20933427 +0 C(ATOM 1751 CD LYS A 114) 12.22974908 +0 -22.14340015 +0 -20.02376985 +0 C(ATOM 1752 CE LYS A 114) 11.36685657 +0 -23.35712787 +0 -20.40815538 +0 N(ATOM 1753 NZ LYS A 114) 11.93605808 +0 -24.01265313 +0 -21.61650328 +0 H(ATOM 1754 H LYS A 114) 11.24219057 +0 -19.48032346 +0 -17.05613126 +0 H(ATOM 1755 HA LYS A 114) 11.40267162 +0 -17.58783179 +0 -19.24619655 +0 H(ATOM 1756 1HB LYS A 114) 11.99015105 +0 -19.57170806 +0 -20.62379361 +0 H(ATOM 1757 2HB LYS A 114) 12.90586752 +0 -19.54565270 +0 -19.11280660 +0 H(ATOM 1758 1HG LYS A 114) 11.52815293 +0 -21.34963379 +0 -18.12770261 +0 H(ATOM 1759 2HG LYS A 114) 10.33764680 +0 -21.23360766 +0 -19.41939572 +0 H(ATOM 1760 1HD LYS A 114) 13.11584217 +0 -22.47283919 +0 -19.44790277 +0 H(ATOM 1761 2HD LYS A 114) 12.63982258 +0 -21.67561037 +0 -20.94091843 +0 H(ATOM 1762 1HE LYS A 114) 11.28079863 +0 -24.05397831 +0 -19.54768016 +0 H(ATOM 1763 2HE LYS A 114) 10.33069057 +0 -23.03966539 +0 -20.66129718 +0 H(ATOM 1764 1HZ LYS A 114) 12.91563091 +0 -24.23586339 +0 -21.47836826 +0 H(ATOM 1765 2HZ LYS A 114) 11.45962914 +0 -24.89002531 +0 -21.80036744 +0 N(ATOM 1766 N ASP A 115) 8.54360163 +0 -19.24020361 +0 -19.06206298 +0 C(ATOM 1767 CA ASP A 115) 7.19450444 +0 -19.22302176 +0 -19.61128731 +0 C(ATOM 1768 C ASP A 115) 6.27995907 +0 -18.28477326 +0 -18.79067268 +0 O(ATOM 1769 O ASP A 115) 5.10368737 +0 -18.56077680 +0 -18.62166072 +0 C(ATOM 1770 CB ASP A 115) 6.59306300 +0 -20.63411967 +0 -19.55717773 +0 C(ATOM 1771 CG ASP A 115) 7.23023065 +0 -21.55511016 +0 -20.54596152 +0 O(ATOM 1772 OD1 ASP A 115) 7.44677546 +0 -20.95941709 +0 -21.72543321 +0 O(ATOM 1773 OD2 ASP A 115) 7.52353449 +0 -22.71569948 +0 -20.35135626 +0 H(ATOM 1774 H ASP A 115) 8.63358211 +0 -19.50812831 +0 -18.07607955 +0 H(ATOM 1775 HA ASP A 115) 7.21330597 +0 -18.83436830 +0 -20.67549761 +0 H(ATOM 1776 1HB ASP A 115) 6.69537571 +0 -21.05887614 +0 -18.52958767 +0 H(ATOM 1777 2HB ASP A 115) 5.48880179 +0 -20.59113024 +0 -19.74219846 +0 H(ATOM 1778 HD1 ASP A 115) 7.85548412 +0 -21.54842400 +0 -22.43144713 +0 N(ATOM 1779 N MET A 116) 6.83582206 +0 -17.10889332 +0 -18.39226490 +0 C(ATOM 1780 CA MET A 116) 6.07373516 +0 -16.11613437 +0 -17.63949399 +0 C(ATOM 1781 C MET A 116) 6.44032329 +0 -14.75894533 +0 -18.25062593 +0 O(ATOM 1782 O MET A 116) 7.44700161 +0 -14.58971380 +0 -18.92339788 +0 C(ATOM 1783 CB MET A 116) 6.47847621 +0 -16.08945878 +0 -16.14913522 +0 C(ATOM 1784 CG MET A 116) 5.86512238 +0 -17.27746369 +0 -15.42228234 +0 S(ATOM 1785 SD MET A 116) 6.56853755 +0 -17.49499817 +0 -13.75087801 +0 C(ATOM 1786 CE MET A 116) 5.68325369 +1 -16.27039805 +1 -12.73818943 +1 H(ATOM 1787 H MET A 116) 7.85095260 +0 -16.96983012 +0 -18.38717548 +0 H(ATOM 1788 HA MET A 116) 4.96779671 +0 -16.31467896 +0 -17.73401702 +0 H(ATOM 1789 1HB MET A 116) 7.58785286 +0 -16.09001488 +0 -16.06810528 +0 H(ATOM 1790 2HB MET A 116) 6.14089071 +1 -15.13624965 +1 -15.68620375 +1 H(ATOM 1791 1HG MET A 116) 4.76174666 +0 -17.17746791 +0 -15.36790740 +0 H(ATOM 1792 2HG MET A 116) 6.07630593 +0 -18.22653256 +0 -15.96547726 +0 H(ATOM 1793 1HE MET A 116) 6.22567675 +0 -16.15978862 +0 -11.79035279 +0 H(ATOM 1794 2HE MET A 116) 5.62193552 +1 -15.28720756 +1 -13.22107295 +1 H(ATOM 1795 3HE MET A 116) 4.66349590 +1 -16.59606899 +1 -12.50917758 +1 N(ATOM 1796 N TRP A 117) 5.57116061 +1 -13.72975503 +1 -18.02752662 +1 C(ATOM 1797 CA TRP A 117) 5.97663963 +1 -12.39447571 +1 -18.46344500 +1 C(ATOM 1798 C TRP A 117) 7.43235663 +0 -12.15010383 +0 -18.01397705 +0 O(ATOM 1799 O TRP A 117) 7.83628087 +0 -12.51482016 +0 -16.91337579 +0 C(ATOM 1800 CB TRP A 117) 5.06284815 +1 -11.31895147 +1 -17.85555725 +1 C(ATOM 1801 CG TRP A 117) 3.76207028 +1 -11.26235009 +1 -18.54995058 +1 C(ATOM 1802 CD1 TRP A 117) 2.59883535 +1 -11.93244747 +1 -18.20107671 +1 N(ATOM 1803 NE1 TRP A 117) 1.56353785 +1 -11.56892681 +1 -19.06661214 +1 C(ATOM 1804 CD2 TRP A 117) 3.44561872 +1 -10.40528558 +1 -19.66081449 +1 C(ATOM 1805 CE2 TRP A 117) 2.05605742 +1 -10.59983417 +1 -19.94597026 +1 C(ATOM 1806 CE3 TRP A 117) 4.17509954 +1 -9.47926566 +1 -20.41385116 +1 C(ATOM 1807 CZ2 TRP A 117) 1.41114740 +1 -9.90901710 +1 -20.97906749 +1 C(ATOM 1808 CZ3 TRP A 117) 3.53620083 +1 -8.80693412 +1 -21.43974132 +1 C(ATOM 1809 CH2 TRP A 117) 2.16929075 +1 -9.02002636 +1 -21.71819180 +1 H(ATOM 1810 H TRP A 117) 4.78023263 +1 -13.79169742 +1 -17.36919772 +1 H(ATOM 1811 HA TRP A 117) 5.90029818 +0 -12.35878657 +0 -19.58298207 +0 H(ATOM 1812 1HB TRP A 117) 5.55566939 +1 -10.31936143 +1 -17.90203983 +1 H(ATOM 1813 2HB TRP A 117) 4.91554066 +1 -11.50528638 +1 -16.76640621 +1 H(ATOM 1814 HD1 TRP A 117) 2.43293784 +1 -12.65737571 +1 -17.41578070 +1 H(ATOM 1815 HE1 TRP A 117) 0.59131911 +1 -11.74066433 +1 -18.89570708 +1 H(ATOM 1816 HE3 TRP A 117) 5.21558993 +1 -9.27069870 +1 -20.17321906 +1 H(ATOM 1817 HZ2 TRP A 117) 0.35146035 +1 -10.04079490 +1 -21.17047136 +1 H(ATOM 1818 HZ3 TRP A 117) 4.08387798 +1 -8.06989934 +1 -22.02644012 +1 H(ATOM 1819 HH2 TRP A 117) 1.70013545 +1 -8.45107114 +1 -22.52114694 +1 N(ATOM 1820 N PRO A 118) 8.24357527 +0 -11.40355616 +0 -18.82761860 +0 C(ATOM 1821 CA PRO A 118) 9.68785525 +0 -11.28101284 +0 -18.55168245 +0 C(ATOM 1822 C PRO A 118) 9.97959011 +0 -10.42278046 +0 -17.32552428 +0 O(ATOM 1823 O PRO A 118) 11.04469046 +0 -10.51866134 +0 -16.72221865 +0 C(ATOM 1824 CB PRO A 118) 10.29536627 +0 -10.60651749 +0 -19.80138013 +0 C(ATOM 1825 CG PRO A 118) 9.32838723 +0 -10.96525820 +0 -20.93579038 +0 C(ATOM 1826 CD PRO A 118) 7.95769180 +0 -11.11954627 +0 -20.25490056 +0 H(ATOM 1827 HA PRO A 118) 10.13561246 +0 -12.30349836 +0 -18.38313434 +0 H(ATOM 1828 1HB PRO A 118) 11.32227778 +0 -10.96314549 +0 -19.99685189 +0 H(ATOM 1829 2HB PRO A 118) 10.36936983 +0 -9.50876508 +0 -19.67775630 +0 H(ATOM 1830 1HG PRO A 118) 9.31399896 +0 -10.19265064 +0 -21.72489112 +0 H(ATOM 1831 2HG PRO A 118) 9.63117607 +0 -11.91539093 +0 -21.41760112 +0 H(ATOM 1832 1HD PRO A 118) 7.35833365 +1 -10.18241431 +1 -20.31724403 +1 H(ATOM 1833 2HD PRO A 118) 7.36763458 +0 -11.93562926 +0 -20.72563825 +0 N(ATOM 1834 N ASP A 119) 9.05689563 +0 -9.49403324 +0 -16.93757294 +0 C(ATOM 1835 CA ASP A 119) 9.31996949 +0 -8.68183367 +0 -15.75038014 +0 C(ATOM 1836 C ASP A 119) 9.23915501 +0 -9.50447766 +0 -14.45000720 +0 O(ATOM 1837 O ASP A 119) 9.75637346 +0 -9.07954984 +0 -13.42741158 +0 C(ATOM 1838 CB ASP A 119) 8.33595527 +1 -7.51984793 +1 -15.64411249 +1 C(ATOM 1839 CG ASP A 119) 6.89198855 +1 -7.96771035 +1 -15.62980782 +1 O(ATOM 1840 OD1 ASP A 119) 6.48998230 +1 -8.40595774 +1 -16.80142092 +1 O(ATOM 1841 OD2 ASP A 119) 6.16906836 +1 -7.90431601 +1 -14.66027728 +1 H(ATOM 1842 H ASP A 119) 8.11536216 +1 -9.43463787 +1 -17.33475798 +1 H(ATOM 1843 HA ASP A 119) 10.38001973 +0 -8.27971211 +0 -15.81611614 +0 H(ATOM 1844 1HB ASP A 119) 8.48994943 +1 -6.80384787 +1 -16.48536102 +1 H(ATOM 1845 2HB ASP A 119) 8.55097175 +0 -6.92996103 +0 -14.71954919 +0 H(ATOM 1846 HD1 ASP A 119) 5.37166357 +1 -8.57075293 +1 -16.86197693 +1 N(ATOM 1847 N ASP A 120) 8.61127354 +0 -10.71634950 +0 -14.50091131 +0 C(ATOM 1848 CA ASP A 120) 8.33595384 +1 -11.49223833 +1 -13.28795880 +1 C(ATOM 1849 C ASP A 120) 9.67120695 +0 -11.94074242 +0 -12.66828856 +0 O(ATOM 1850 O ASP A 120) 9.87058585 +0 -11.90487056 +0 -11.46259134 +0 C(ATOM 1851 CB ASP A 120) 7.47801210 +1 -12.70683763 +1 -13.65457501 +1 C(ATOM 1852 CG ASP A 120) 6.11876178 +1 -12.34135995 +1 -14.18776681 +1 O(ATOM 1853 OD1 ASP A 120) 6.02002673 +1 -11.08163025 +1 -14.57883741 +1 O(ATOM 1854 OD2 ASP A 120) 5.20222660 +1 -13.13849002 +1 -14.24768436 +1 H(ATOM 1855 H ASP A 120) 8.06510920 +1 -10.98242660 +1 -15.32622981 +1 H(ATOM 1856 HA ASP A 120) 7.80901166 +1 -10.85090795 +1 -12.52079404 +1 H(ATOM 1857 1HB ASP A 120) 7.35306019 +1 -13.37418425 +1 -12.76937694 +1 H(ATOM 1858 2HB ASP A 120) 7.99118009 +1 -13.34008891 +1 -14.42907229 +1 H(ATOM 1859 HD1 ASP A 120) 5.08989501 +1 -10.71661885 +1 -14.89466316 +1 N(ATOM 1860 N SER A 121) 10.66316883 +0 -12.33154053 +0 -13.51573074 +0 C(ATOM 1861 CA SER A 121) 12.00316281 +0 -12.61102909 +0 -12.99239532 +0 C(ATOM 1862 C SER A 121) 12.47653854 +0 -11.56903803 +0 -11.96399861 +0 O(ATOM 1863 O SER A 121) 13.23077123 +0 -11.88367560 +0 -11.05429311 +0 C(ATOM 1864 CB SER A 121) 13.05905841 +0 -12.57795636 +0 -14.12768426 +0 O(ATOM 1865 OG SER A 121) 13.19433968 +0 -13.88251467 +0 -14.61572777 +0 H(ATOM 1866 H SER A 121) 10.52087287 +0 -12.41862576 +0 -14.51876095 +0 H(ATOM 1867 HA SER A 121) 12.00257844 +0 -13.63378065 +0 -12.50884113 +0 H(ATOM 1868 1HB SER A 121) 12.78933047 +0 -11.85802342 +0 -14.92221062 +0 H(ATOM 1869 2HB SER A 121) 14.06284299 +0 -12.31633281 +0 -13.72867668 +0 H(ATOM 1870 HG SER A 121) 12.91489572 +0 -13.92862597 +0 -15.57647848 +0 N(ATOM 1871 N TYR A 122) 12.15111574 +0 -10.26118159 +0 -12.20200388 +0 C(ATOM 1872 CA TYR A 122) 12.71062823 +0 -9.18725105 +0 -11.39184683 +0 C(ATOM 1873 C TYR A 122) 11.94690713 +0 -9.02249148 +0 -10.06382176 +0 O(ATOM 1874 O TYR A 122) 12.54337520 +0 -8.90421096 +0 -9.00231049 +0 C(ATOM 1875 CB TYR A 122) 12.64367905 +0 -7.83710566 +0 -12.13873237 +0 C(ATOM 1876 CG TYR A 122) 13.51602541 +0 -7.81034468 +0 -13.35542554 +0 C(ATOM 1877 CD1 TYR A 122) 14.85318878 +0 -7.41408518 +0 -13.26107347 +0 C(ATOM 1878 CD2 TYR A 122) 12.97742180 +0 -8.14778082 +0 -14.60048188 +0 C(ATOM 1879 CE1 TYR A 122) 15.64700607 +0 -7.33842121 +0 -14.40085634 +0 C(ATOM 1880 CE2 TYR A 122) 13.74763495 +0 -8.07471321 +0 -15.75438335 +0 C(ATOM 1881 CZ TYR A 122) 15.07852812 +0 -7.66252711 +0 -15.63473089 +0 O(ATOM 1882 OH TYR A 122) 15.78208475 +0 -7.60818095 +0 -16.79361771 +0 H(ATOM 1883 H TYR A 122) 11.38899507 +0 -10.01883029 +0 -12.83183083 +0 H(ATOM 1884 HA TYR A 122) 13.78601383 +0 -9.43763121 +0 -11.14063129 +0 H(ATOM 1885 1HB TYR A 122) 12.94626592 +0 -7.02584404 +0 -11.43851285 +0 H(ATOM 1886 2HB TYR A 122) 11.59046226 +0 -7.60751627 +0 -12.41943372 +0 H(ATOM 1887 HD1 TYR A 122) 15.28367563 +0 -7.15557943 +0 -12.29159105 +0 H(ATOM 1888 HD2 TYR A 122) 11.93944786 +0 -8.47527202 +0 -14.66656436 +0 H(ATOM 1889 HE1 TYR A 122) 16.68512161 +0 -7.01807312 +0 -14.33308265 +0 H(ATOM 1890 HE2 TYR A 122) 13.33774758 +0 -8.31885136 +0 -16.72973485 +0 H(ATOM 1891 HH TYR A 122) 16.69844206 +0 -7.24041893 +0 -16.66047152 +0 N(ATOM 1892 N TRP A 123) 10.57948896 +0 -8.95070579 +0 -10.07969398 +0 C(ATOM 1893 CA TRP A 123) 9.87570819 +0 -8.64115246 +0 -8.83342767 +0 C(ATOM 1894 C TRP A 123) 9.39171917 +0 -9.89524785 +0 -8.08947469 +0 O(ATOM 1895 O TRP A 123) 9.14481320 +0 -9.83747776 +0 -6.89167643 +0 C(ATOM 1896 CB TRP A 123) 8.67000820 +0 -7.70997418 +0 -9.07161694 +0 C(ATOM 1897 CG TRP A 123) 7.70208877 +0 -8.25902314 +0 -10.03648077 +0 C(ATOM 1898 CD1 TRP A 123) 7.66793868 +0 -8.01300881 +0 -11.40470631 +0 N(ATOM 1899 NE1 TRP A 123) 6.60668381 +1 -8.69920277 +1 -11.97717280 +1 C(ATOM 1900 CD2 TRP A 123) 6.60619598 +0 -9.13538963 +0 -9.73339885 +0 C(ATOM 1901 CE2 TRP A 123) 5.93862667 +1 -9.39573448 +1 -10.97424275 +1 C(ATOM 1902 CE3 TRP A 123) 6.11747335 +0 -9.72275595 +0 -8.55993135 +0 C(ATOM 1903 CZ2 TRP A 123) 4.80099325 +1 -10.21322904 +1 -11.04674176 +1 C(ATOM 1904 CZ3 TRP A 123) 4.99877575 +0 -10.52835202 +0 -8.63813107 +0 C(ATOM 1905 CH2 TRP A 123) 4.34643005 +1 -10.77062182 +1 -9.86956539 +1 H(ATOM 1906 H TRP A 123) 10.02997180 +0 -9.06174486 +0 -10.92782909 +0 H(ATOM 1907 HA TRP A 123) 10.59879406 +0 -8.12169319 +0 -8.12746906 +0 H(ATOM 1908 1HB TRP A 123) 9.04060747 +0 -6.71519317 +0 -9.40194351 +0 H(ATOM 1909 2HB TRP A 123) 8.17079822 +0 -7.52260996 +0 -8.08848384 +0 H(ATOM 1910 HD1 TRP A 123) 8.32217790 +0 -7.40387508 +0 -12.00642861 +0 H(ATOM 1911 HE1 TRP A 123) 6.36281372 +1 -8.70737366 +1 -12.95242531 +1 H(ATOM 1912 HE3 TRP A 123) 6.62254938 +0 -9.53554309 +0 -7.61208668 +0 H(ATOM 1913 HZ2 TRP A 123) 4.28652196 +1 -10.37787194 +1 -11.99381531 +1 H(ATOM 1914 HZ3 TRP A 123) 4.60586247 +0 -11.00149222 +0 -7.74092729 +0 H(ATOM 1915 HH2 TRP A 123) 3.45957222 +1 -11.40782497 +1 -9.87458174 +1 N(ATOM 1916 N PHE A 124) 9.26145739 +0 -11.06549997 +0 -8.77704014 +0 C(ATOM 1917 CA PHE A 124) 8.76303676 +0 -12.26732065 +0 -8.10589436 +0 C(ATOM 1918 C PHE A 124) 9.65843308 +0 -12.62976200 +0 -6.91119574 +0 O(ATOM 1919 O PHE A 124) 9.15098837 +0 -12.92680367 +0 -5.83638207 +0 C(ATOM 1920 CB PHE A 124) 8.70945907 +0 -13.45482538 +0 -9.08275586 +0 C(ATOM 1921 CG PHE A 124) 7.47514111 +0 -14.26826119 +0 -8.86565192 +0 C(ATOM 1922 CD1 PHE A 124) 6.26799807 +0 -13.85343050 +0 -9.43174992 +0 C(ATOM 1923 CD2 PHE A 124) 7.53102093 +0 -15.44459818 +0 -8.11879960 +0 C(ATOM 1924 CE1 PHE A 124) 5.12324443 +0 -14.62673303 +0 -9.26388994 +0 C(ATOM 1925 CE2 PHE A 124) 6.38210773 +0 -16.21509801 +0 -7.95139252 +0 C(ATOM 1926 CZ PHE A 124) 5.17958412 +0 -15.80858398 +0 -8.52572507 +0 H(ATOM 1927 H PHE A 124) 9.47739055 +0 -11.13840352 +0 -9.76899320 +0 H(ATOM 1928 HA PHE A 124) 7.73367446 +0 -12.04825692 +0 -7.69011344 +0 H(ATOM 1929 1HB PHE A 124) 9.62260736 +0 -14.08129698 +0 -8.99687013 +0 H(ATOM 1930 2HB PHE A 124) 8.72954874 +0 -13.08325627 +0 -10.13656353 +0 H(ATOM 1931 HD1 PHE A 124) 6.21556837 +1 -12.91974400 +1 -9.99265123 +1 H(ATOM 1932 HD2 PHE A 124) 8.46776152 +0 -15.75691672 +0 -7.65890871 +0 H(ATOM 1933 HE1 PHE A 124) 4.18159760 +1 -14.30630171 +1 -9.70776407 +1 H(ATOM 1934 HE2 PHE A 124) 6.42828763 +0 -17.13668483 +0 -7.37275819 +0 H(ATOM 1935 HZ PHE A 124) 4.28318203 +0 -16.41155551 +0 -8.39719076 +0 N(ATOM 1936 N PRO A 125) 11.01390034 +0 -12.60463455 +0 -7.01557306 +0 C(ATOM 1937 CA PRO A 125) 11.85909148 +0 -12.88324922 +0 -5.83964027 +0 C(ATOM 1938 C PRO A 125) 11.48147181 +0 -12.03652329 +0 -4.61933276 +0 O(ATOM 1939 O PRO A 125) 11.58681675 +0 -12.51827608 +0 -3.50091071 +0 C(ATOM 1940 CB PRO A 125) 13.29593805 +0 -12.57721974 +0 -6.31092838 +0 C(ATOM 1941 CG PRO A 125) 13.24628207 +0 -12.84219207 +0 -7.82410964 +0 C(ATOM 1942 CD PRO A 125) 11.82958537 +0 -12.40477833 +0 -8.23370753 +0 H(ATOM 1943 HA PRO A 125) 11.75324779 +0 -13.96460537 +0 -5.54305794 +0 H(ATOM 1944 1HB PRO A 125) 14.03986521 +0 -13.21386037 +0 -5.80293931 +0 H(ATOM 1945 2HB PRO A 125) 13.57716933 +0 -11.52691448 +0 -6.10585336 +0 H(ATOM 1946 1HG PRO A 125) 14.02263324 +0 -12.28159382 +0 -8.37430988 +0 H(ATOM 1947 2HG PRO A 125) 13.42003979 +0 -13.91224667 +0 -8.03653620 +0 H(ATOM 1948 1HD PRO A 125) 11.82231280 +0 -11.32941798 +0 -8.52786361 +0 H(ATOM 1949 2HD PRO A 125) 11.42930801 +0 -12.98571494 +0 -9.08745754 +0 N(ATOM 1950 N LEU A 126) 11.10984468 +0 -10.73316897 +0 -4.80838287 +0 C(ATOM 1951 CA LEU A 126) 10.72342791 +0 -9.89958725 +0 -3.66357909 +0 C(ATOM 1952 C LEU A 126) 9.39690500 +0 -10.41412249 +0 -3.05994558 +0 O(ATOM 1953 O LEU A 126) 9.22849410 +0 -10.56552152 +0 -1.86022491 +0 C(ATOM 1954 CB LEU A 126) 10.52997902 +0 -8.43099723 +0 -4.07299998 +0 C(ATOM 1955 CG LEU A 126) 11.76548677 +0 -7.78875867 +0 -4.73521686 +0 C(ATOM 1956 CD1 LEU A 126) 11.42755693 +0 -6.33657410 +0 -5.10855097 +0 C(ATOM 1957 CD2 LEU A 126) 12.99169147 +0 -7.83068191 +0 -3.82194832 +0 H(ATOM 1958 H LEU A 126) 10.85983176 +0 -10.39907096 +0 -5.73837775 +0 H(ATOM 1959 HA LEU A 126) 11.52139186 +0 -9.99082198 +0 -2.87018027 +0 H(ATOM 1960 1HB LEU A 126) 9.66505801 +0 -8.34167324 +0 -4.76600226 +0 H(ATOM 1961 2HB LEU A 126) 10.24840886 +0 -7.84994506 +0 -3.17019021 +0 H(ATOM 1962 HG LEU A 126) 12.00390938 +0 -8.34352921 +0 -5.67576168 +0 H(ATOM 1963 1HD1 LEU A 126) 10.56198348 +0 -6.28248370 +0 -5.77662005 +0 H(ATOM 1964 2HD1 LEU A 126) 11.20588709 +0 -5.72983715 +0 -4.22541078 +0 H(ATOM 1965 3HD1 LEU A 126) 12.26764403 +0 -5.85309690 +0 -5.62519778 +0 H(ATOM 1966 1HD2 LEU A 126) 13.30634787 +0 -8.86058685 +0 -3.61048634 +0 H(ATOM 1967 2HD2 LEU A 126) 13.84868037 +0 -7.32879500 +0 -4.28764420 +0 H(ATOM 1968 3HD2 LEU A 126) 12.81616948 +0 -7.33338279 +0 -2.86178663 +0 N(ATOM 1969 N LEU A 127) 8.40884490 +0 -10.75843052 +0 -3.93976134 +0 C(ATOM 1970 CA LEU A 127) 7.17047864 +0 -11.39345555 +0 -3.46485029 +0 C(ATOM 1971 C LEU A 127) 7.50602148 +0 -12.61940998 +0 -2.59423495 +0 O(ATOM 1972 O LEU A 127) 6.97631146 +0 -12.81436489 +0 -1.50522069 +0 C(ATOM 1973 CB LEU A 127) 6.34894814 +0 -11.79342773 +0 -4.70136200 +0 C(ATOM 1974 CG LEU A 127) 5.02477278 +0 -12.52170563 +0 -4.39843430 +0 C(ATOM 1975 CD1 LEU A 127) 3.83456622 +0 -11.68294392 +0 -4.88040171 +0 C(ATOM 1976 CD2 LEU A 127) 5.00014580 +0 -13.87939156 +0 -5.11494428 +0 H(ATOM 1977 H LEU A 127) 8.57154869 +0 -10.73468631 +0 -4.94750687 +0 H(ATOM 1978 HA LEU A 127) 6.60873499 +0 -10.66190851 +0 -2.81363359 +0 H(ATOM 1979 1HB LEU A 127) 6.14720713 +0 -10.87622468 +0 -5.29319532 +0 H(ATOM 1980 2HB LEU A 127) 6.97846224 +0 -12.42970156 +0 -5.36382437 +0 H(ATOM 1981 HG LEU A 127) 4.92909146 +0 -12.69306382 +0 -3.29819731 +0 H(ATOM 1982 1HD1 LEU A 127) 3.70313717 +0 -10.78479351 +0 -4.26563189 +0 H(ATOM 1983 2HD1 LEU A 127) 3.95062757 +0 -11.36766841 +0 -5.92188937 +0 H(ATOM 1984 3HD1 LEU A 127) 2.89825898 +0 -12.25280855 +0 -4.83185805 +0 H(ATOM 1985 1HD2 LEU A 127) 5.83717161 +0 -14.51409159 +0 -4.80474889 +0 H(ATOM 1986 2HD2 LEU A 127) 4.07427848 +0 -14.42414216 +0 -4.90386478 +0 H(ATOM 1987 3HD2 LEU A 127) 5.06917966 +0 -13.75661057 +0 -6.20270060 +0 N(ATOM 1988 N LEU A 128) 8.41117225 +0 -13.52099591 +0 -3.07209086 +0 C(ATOM 1989 CA LEU A 128) 8.74224950 +0 -14.72368624 +0 -2.30640382 +0 C(ATOM 1990 C LEU A 128) 9.52131669 +0 -14.38787050 +0 -1.01626075 +0 O(ATOM 1991 O LEU A 128) 9.40768220 +0 -15.09447507 +0 -0.01482991 +0 C(ATOM 1992 CB LEU A 128) 9.64742215 +0 -15.64824552 +0 -3.12744245 +0 C(ATOM 1993 CG LEU A 128) 8.98163057 +0 -16.23442746 +0 -4.38470975 +0 C(ATOM 1994 CD1 LEU A 128) 10.02859821 +0 -17.12773193 +0 -5.06204151 +0 C(ATOM 1995 CD2 LEU A 128) 7.71562331 +0 -17.03183369 +0 -4.05366667 +0 H(ATOM 1996 H LEU A 128) 8.89898169 +0 -13.37171051 +0 -3.95535310 +0 H(ATOM 1997 HA LEU A 128) 7.78879408 +0 -15.24323365 +0 -2.00145009 +0 H(ATOM 1998 1HB LEU A 128) 10.00383017 +0 -16.48039950 +0 -2.48149132 +0 H(ATOM 1999 2HB LEU A 128) 10.56221914 +0 -15.09255828 +0 -3.43366490 +0 H(ATOM 2000 HG LEU A 128) 8.70522304 +0 -15.40249168 +0 -5.08015985 +0 H(ATOM 2001 1HD1 LEU A 128) 11.02912492 +0 -16.67902350 +0 -5.04117479 +0 H(ATOM 2002 2HD1 LEU A 128) 10.11242646 +0 -18.10337540 +0 -4.56813795 +0 H(ATOM 2003 3HD1 LEU A 128) 9.79221761 +0 -17.30974006 +0 -6.11221576 +0 H(ATOM 2004 1HD2 LEU A 128) 6.90021963 +0 -16.37798424 +0 -3.72148892 +0 H(ATOM 2005 2HD2 LEU A 128) 7.35267966 +0 -17.57907504 +0 -4.93040119 +0 H(ATOM 2006 3HD2 LEU A 128) 7.89507949 +0 -17.76516092 +0 -3.25774068 +0 N(ATOM 2007 N GLN A 129) 10.31827195 +0 -13.28772296 +0 -1.03230404 +0 C(ATOM 2008 CA GLN A 129) 11.07528292 +0 -12.85457375 +0 0.14485473 +0 C(ATOM 2009 C GLN A 129) 10.19219124 +0 -11.99631193 +0 1.07676335 +0 O(ATOM 2010 O GLN A 129) 10.64095322 +0 -11.53940110 +0 2.12094170 +0 C(ATOM 2011 CB GLN A 129) 12.30304880 +0 -12.04126305 +0 -0.30023347 +0 C(ATOM 2012 CG GLN A 129) 13.27579972 +0 -12.93280196 +0 -1.07618168 +0 C(ATOM 2013 CD GLN A 129) 14.09381538 +0 -12.16409940 +0 -2.07593797 +0 O(ATOM 2014 OE1 GLN A 129) 14.40227446 +0 -10.97284060 +0 -1.95125694 +0 N(ATOM 2015 NE2 GLN A 129) 14.60321111 +0 -12.84710688 +0 -3.14487822 +0 H(ATOM 2016 H GLN A 129) 10.48473653 +0 -12.75528321 +0 -1.89459149 +0 H(ATOM 2017 HA GLN A 129) 11.40068604 +0 -13.75455348 +0 0.74577871 +0 H(ATOM 2018 1HB GLN A 129) 11.98970678 +0 -11.17288288 +0 -0.91868536 +0 H(ATOM 2019 2HB GLN A 129) 12.80119869 +0 -11.59738639 +0 0.59160388 +0 H(ATOM 2020 1HG GLN A 129) 12.72750587 +0 -13.75390426 +0 -1.59656869 +0 H(ATOM 2021 2HG GLN A 129) 13.96571178 +0 -13.45883521 +0 -0.37373989 +0 H(ATOM 2022 1HE2 GLN A 129) 14.27856128 +0 -13.76176587 +0 -3.41436473 +0 H(ATOM 2023 2HE2 GLN A 129) 15.19008458 +0 -12.37484685 +0 -3.81256539 +0 N(ATOM 2024 N LYS A 130) 8.89280419 +0 -11.80960888 +0 0.71103012 +0 C(ATOM 2025 CA LYS A 130) 7.90860355 +0 -11.18002240 +0 1.58542777 +0 C(ATOM 2026 C LYS A 130) 8.25517611 +0 -9.68430821 +0 1.77622469 +0 O(ATOM 2027 O LYS A 130) 8.02770909 +0 -9.09335372 +0 2.81867543 +0 C(ATOM 2028 CB LYS A 130) 7.78146220 +0 -11.86231706 +0 2.96139206 +0 C(ATOM 2029 CG LYS A 130) 7.85710234 +0 -13.39706162 +0 2.92999568 +0 C(ATOM 2030 CD LYS A 130) 6.49114572 +0 -14.09529154 +0 2.97359050 +0 C(ATOM 2031 CE LYS A 130) 6.55357968 +0 -15.42494254 +0 3.75329651 +0 N(ATOM 2032 NZ LYS A 130) 6.82758097 +0 -15.26088619 +0 5.20311255 +0 H(ATOM 2033 H LYS A 130) 8.54210365 +0 -12.13884549 +0 -0.18900456 +0 H(ATOM 2034 HA LYS A 130) 6.90823457 +0 -11.22385365 +0 1.05915790 +0 H(ATOM 2035 1HB LYS A 130) 8.58278058 +0 -11.47450940 +0 3.62725014 +0 H(ATOM 2036 2HB LYS A 130) 6.83076957 +0 -11.52974079 +0 3.42484252 +0 H(ATOM 2037 1HG LYS A 130) 8.47775136 +0 -13.72169114 +0 3.79083775 +0 H(ATOM 2038 2HG LYS A 130) 8.41020272 +0 -13.75468800 +0 2.03850295 +0 H(ATOM 2039 1HD LYS A 130) 6.13639732 +0 -14.29279415 +0 1.94387287 +0 H(ATOM 2040 2HD LYS A 130) 5.71701344 +0 -13.44027994 +0 3.41475725 +0 H(ATOM 2041 1HE LYS A 130) 5.59029843 +0 -15.97081921 +0 3.64614548 +0 H(ATOM 2042 2HE LYS A 130) 7.33765285 +0 -16.08893935 +0 3.32857622 +0 H(ATOM 2043 1HZ LYS A 130) 7.68116052 +0 -14.72441912 +0 5.34041308 +0 H(ATOM 2044 2HZ LYS A 130) 6.08498223 +0 -14.72869043 +0 5.64577768 +0 N(ATOM 2045 N LYS A 131) 8.71875722 +0 -9.03190750 +0 0.66562473 +0 C(ATOM 2046 CA LYS A 131) 9.07073119 +0 -7.61576475 +0 0.69824732 +0 C(ATOM 2047 C LYS A 131) 8.03471513 +0 -6.91313660 +0 -0.20239819 +0 O(ATOM 2048 O LYS A 131) 7.67004915 +0 -7.38631185 +0 -1.26286793 +0 C(ATOM 2049 CB LYS A 131) 10.45886806 +0 -7.34735787 +0 0.08557485 +0 C(ATOM 2050 CG LYS A 131) 11.57678342 +0 -8.16642839 +0 0.73420450 +0 C(ATOM 2051 CD LYS A 131) 11.82409964 +0 -7.81896992 +0 2.20728403 +0 C(ATOM 2052 CE LYS A 131) 13.06763561 +0 -8.58127810 +0 2.70592420 +0 N(ATOM 2053 NZ LYS A 131) 12.87203328 +0 -9.04516511 +0 4.10646737 +0 H(ATOM 2054 H LYS A 131) 8.98715233 +0 -9.53505601 +0 -0.18446350 +0 H(ATOM 2055 HA LYS A 131) 9.03011090 +0 -7.22495591 +0 1.75167264 +0 H(ATOM 2056 1HB LYS A 131) 10.43172000 +0 -7.57543176 +0 -1.00162135 +0 H(ATOM 2057 2HB LYS A 131) 10.67947361 +0 -6.26414349 +0 0.16628596 +0 H(ATOM 2058 1HG LYS A 131) 12.51110095 +0 -8.01487381 +0 0.15422425 +0 H(ATOM 2059 2HG LYS A 131) 11.34584444 +0 -9.25044456 +0 0.65501007 +0 H(ATOM 2060 1HD LYS A 131) 11.95482849 +0 -6.73135106 +0 2.34204292 +0 H(ATOM 2061 2HD LYS A 131) 10.93654396 +0 -8.08377497 +0 2.81493233 +0 H(ATOM 2062 1HE LYS A 131) 13.28135673 +0 -9.44452446 +0 2.03023319 +0 H(ATOM 2063 2HE LYS A 131) 13.96116032 +0 -7.92540765 +0 2.67263303 +0 H(ATOM 2064 1HZ LYS A 131) 12.17483595 +0 -9.78170833 +0 4.12026577 +0 H(ATOM 2065 2HZ LYS A 131) 13.73325079 +0 -9.45210403 +0 4.46265143 +0 N(ATOM 2066 N LYS A 132) 7.48787997 +0 -5.75106989 +0 0.28722823 +0 C(ATOM 2067 CA LYS A 132) 6.53809431 +0 -5.01961535 +0 -0.55134069 +0 C(ATOM 2068 C LYS A 132) 7.34657377 +0 -4.21543141 +0 -1.58231066 +0 O(ATOM 2069 O LYS A 132) 8.47025283 +0 -3.79834699 +0 -1.32833744 +0 C(ATOM 2070 CB LYS A 132) 5.72301598 +0 -4.02931359 +0 0.29756016 +0 C(ATOM 2071 CG LYS A 132) 4.83054331 +0 -4.77503274 +0 1.29568080 +0 C(ATOM 2072 CD LYS A 132) 4.32823126 +0 -3.84024385 +0 2.40234608 +0 C(ATOM 2073 CE LYS A 132) 3.74638923 +0 -4.65017729 +0 3.58113380 +0 N(ATOM 2074 NZ LYS A 132) 2.45861155 +0 -4.05276066 +0 4.01131289 +0 H(ATOM 2075 H LYS A 132) 7.94791429 +0 -5.20533249 +0 1.02096171 +0 H(ATOM 2076 HA LYS A 132) 5.85453232 +0 -5.75613175 +0 -1.07338552 +0 H(ATOM 2077 1HB LYS A 132) 5.10672165 +0 -3.38827776 +0 -0.36235062 +0 H(ATOM 2078 2HB LYS A 132) 6.40427430 +0 -3.33477898 +0 0.83585177 +0 H(ATOM 2079 1HG LYS A 132) 3.96722283 +0 -5.22629414 +0 0.76783021 +0 H(ATOM 2080 2HG LYS A 132) 5.39928513 +0 -5.61208354 +0 1.74663927 +0 H(ATOM 2081 1HD LYS A 132) 3.56997658 +0 -3.14094968 +0 2.00124218 +0 H(ATOM 2082 2HD LYS A 132) 5.14377458 +0 -3.18909297 +0 2.77285848 +0 H(ATOM 2083 1HE LYS A 132) 3.62097612 +0 -5.71793310 +0 3.30238754 +0 H(ATOM 2084 2HE LYS A 132) 4.45796096 +0 -4.63324408 +0 4.43479788 +0 H(ATOM 2085 1HZ LYS A 132) 1.68034307 +0 -4.44187191 +0 3.48139192 +0 H(ATOM 2086 2HZ LYS A 132) 2.27599971 +0 -4.24669449 +0 4.98869834 +0 N(ATOM 2087 N PHE A 133) 6.76905129 +0 -3.98677151 +0 -2.80234134 +0 C(ATOM 2088 CA PHE A 133) 7.57984805 +0 -3.41057594 +0 -3.86848680 +0 C(ATOM 2089 C PHE A 133) 6.70597674 +0 -2.53878154 +0 -4.77538183 +0 O(ATOM 2090 O PHE A 133) 5.50462400 +0 -2.69264459 +0 -4.90884204 +0 C(ATOM 2091 CB PHE A 133) 8.25277430 +0 -4.50004623 +0 -4.73921805 +0 C(ATOM 2092 CG PHE A 133) 7.25379789 +0 -5.42244155 +0 -5.36277975 +0 C(ATOM 2093 CD1 PHE A 133) 6.66956582 +0 -5.10283922 +0 -6.59054459 +0 C(ATOM 2094 CD2 PHE A 133) 6.89508607 +0 -6.60186032 +0 -4.70694147 +0 C(ATOM 2095 CE1 PHE A 133) 5.72715147 +0 -5.95879862 +0 -7.15376814 +0 C(ATOM 2096 CE2 PHE A 133) 5.94776774 +0 -7.45222816 +0 -5.27203088 +0 C(ATOM 2097 CZ PHE A 133) 5.36229671 +0 -7.13151884 +0 -6.49542589 +0 H(ATOM 2098 H PHE A 133) 5.87134338 +0 -4.40758965 +0 -3.05688343 +0 H(ATOM 2099 HA PHE A 133) 8.39826307 +0 -2.77386068 +0 -3.40782266 +0 H(ATOM 2100 1HB PHE A 133) 8.89249269 +0 -4.01396117 +0 -5.50660572 +0 H(ATOM 2101 2HB PHE A 133) 8.96439994 +0 -5.06817754 +0 -4.09823934 +0 H(ATOM 2102 HD1 PHE A 133) 6.93700984 +0 -4.18095107 +0 -7.10169362 +0 H(ATOM 2103 HD2 PHE A 133) 7.34316625 +0 -6.85558447 +0 -3.74187422 +0 H(ATOM 2104 HE1 PHE A 133) 5.27947928 +0 -5.71280644 +0 -8.11504580 +0 H(ATOM 2105 HE2 PHE A 133) 5.66641973 +0 -8.36474501 +0 -4.74806346 +0 H(ATOM 2106 HZ PHE A 133) 4.63081752 +0 -7.79972155 +0 -6.94464827 +0 N(ATOM 2107 N HIS A 134) 7.39815342 +0 -1.55802062 +0 -5.44526284 +0 C(ATOM 2108 CA HIS A 134) 6.78544077 +0 -0.80917093 +0 -6.53088005 +0 C(ATOM 2109 C HIS A 134) 7.68999237 +0 -0.97295062 +0 -7.77004448 +0 O(ATOM 2110 O HIS A 134) 8.89022189 +0 -0.68726920 +0 -7.74258685 +0 C(ATOM 2111 CB HIS A 134) 6.74104383 +0 0.70293504 +0 -6.24722391 +0 C(ATOM 2112 CG HIS A 134) 5.62463477 +0 1.09827845 +0 -5.37011576 +0 N(ATOM 2113 ND1 HIS A 134) 5.42223605 +0 2.45487175 +0 -5.07229854 +0 C(ATOM 2114 CD2 HIS A 134) 4.60136173 +0 0.39612684 +0 -4.73944586 +0 N(ATOM 2115 NE2 HIS A 134) 3.79890636 +0 1.32507088 +0 -4.07875222 +0 C(ATOM 2116 CE1 HIS A 134) 4.30288479 +0 2.57109892 +0 -4.28784995 +0 H(ATOM 2117 H HIS A 134) 8.41113979 +0 -1.45749104 +0 -5.34255582 +0 H(ATOM 2118 HA HIS A 134) 5.73719326 +0 -1.19593017 +0 -6.73312665 +0 H(ATOM 2119 1HB HIS A 134) 6.64893035 +0 1.25157087 +0 -7.22455956 +0 H(ATOM 2120 2HB HIS A 134) 7.71701505 +0 1.03218288 +0 -5.81740612 +0 H(ATOM 2121 HD1 HIS A 134) 6.03828112 +0 3.19816751 +0 -5.36804250 +0 H(ATOM 2122 HD2 HIS A 134) 4.41151146 +0 -0.66590044 +0 -4.70150450 +0 H(ATOM 2123 HE2 HIS A 134) 2.86963602 +0 1.11264705 +0 -3.55567099 +0 H(ATOM 2124 HE1 HIS A 134) 3.89811815 +0 3.50984708 +0 -3.90316552 +0 N(ATOM 2125 N GLY A 135) 7.10978488 +0 -1.48966107 +0 -8.87530999 +0 C(ATOM 2126 CA GLY A 135) 7.88200994 +0 -1.66923318 +0 -10.09405132 +0 C(ATOM 2127 C GLY A 135) 7.25604459 +0 -0.86625311 +0 -11.22862936 +0 O(ATOM 2128 O GLY A 135) 6.07336815 +0 -0.53944957 +0 -11.21619687 +0 H(ATOM 2129 H GLY A 135) 6.09195614 +0 -1.66110468 +0 -8.93451904 +0 H(ATOM 2130 1HA GLY A 135) 7.89059958 +0 -2.75345767 +0 -10.37677383 +0 H(ATOM 2131 2HA GLY A 135) 8.95916851 +0 -1.38665810 +0 -9.94493158 +0 N(ATOM 2132 N TYR A 136) 8.05959937 +0 -0.64987205 +0 -12.29706637 +0 C(ATOM 2133 CA TYR A 136) 7.56552446 +0 0.02548359 +0 -13.49937930 +0 C(ATOM 2134 C TYR A 136) 8.34297307 +0 -0.64419586 +0 -14.64202640 +0 O(ATOM 2135 O TYR A 136) 9.56297762 +0 -0.73169113 +0 -14.60898563 +0 C(ATOM 2136 CB TYR A 136) 7.87701248 +0 1.53589445 +0 -13.49234761 +0 C(ATOM 2137 CG TYR A 136) 7.82358079 +0 2.09858187 +0 -14.87861151 +0 C(ATOM 2138 CD1 TYR A 136) 6.60003072 +0 2.26955904 +0 -15.53008940 +0 C(ATOM 2139 CD2 TYR A 136) 9.01433248 +0 2.43687311 +0 -15.53427780 +0 C(ATOM 2140 CE1 TYR A 136) 6.55091832 +0 2.77099051 +0 -16.82901968 +0 C(ATOM 2141 CE2 TYR A 136) 8.99335832 +0 2.92914470 +0 -16.83241306 +0 C(ATOM 2142 CZ TYR A 136) 7.75359209 +0 3.07169649 +0 -17.46655372 +0 O(ATOM 2143 OH TYR A 136) 7.81674126 +0 3.48168133 +0 -18.75958312 +0 H(ATOM 2144 H TYR A 136) 9.07890682 +0 -0.80260202 +0 -12.25380741 +0 H(ATOM 2145 HA TYR A 136) 6.45140111 +0 -0.13252800 +0 -13.60140526 +0 H(ATOM 2146 1HB TYR A 136) 8.87650873 +0 1.71244590 +0 -13.02888550 +0 H(ATOM 2147 2HB TYR A 136) 7.16015695 +0 2.05158626 +0 -12.81968714 +0 H(ATOM 2148 HD1 TYR A 136) 5.67127913 +0 1.98365554 +0 -15.02937616 +0 H(ATOM 2149 HD2 TYR A 136) 9.97058515 +0 2.30516367 +0 -15.02264869 +0 H(ATOM 2150 HE1 TYR A 136) 5.60021268 +0 2.91533807 +0 -17.33225973 +0 H(ATOM 2151 HE2 TYR A 136) 9.91126975 +0 3.20604939 +0 -17.34872752 +0 H(ATOM 2152 HH TYR A 136) 6.94556226 +0 3.69853098 +0 -19.18156019 +0 N(ATOM 2153 N PHE A 137) 7.61301660 +0 -1.17643765 +0 -15.65822779 +0 C(ATOM 2154 CA PHE A 137) 8.29915973 +0 -1.81740864 +0 -16.77503847 +0 C(ATOM 2155 C PHE A 137) 7.67944343 +0 -1.22950090 +0 -18.05523658 +0 O(ATOM 2156 O PHE A 137) 6.47101517 +0 -1.17597825 +0 -18.21641060 +0 C(ATOM 2157 CB PHE A 137) 8.08272657 +0 -3.34665090 +0 -16.78672625 +0 C(ATOM 2158 CG PHE A 137) 8.70757615 +0 -3.97854086 +0 -15.58092219 +0 C(ATOM 2159 CD1 PHE A 137) 8.00338162 +0 -4.01990528 +0 -14.37452666 +0 C(ATOM 2160 CD2 PHE A 137) 9.99588195 +0 -4.51254263 +0 -15.64310322 +0 C(ATOM 2161 CE1 PHE A 137) 8.58606116 +0 -4.57575510 +0 -13.23833431 +0 C(ATOM 2162 CE2 PHE A 137) 10.58414805 +0 -5.05404643 +0 -14.50104294 +0 C(ATOM 2163 CZ PHE A 137) 9.88073394 +0 -5.08964692 +0 -13.29846551 +0 H(ATOM 2164 H PHE A 137) 6.59794969 +0 -1.05423628 +0 -15.72418210 +0 H(ATOM 2165 HA PHE A 137) 9.40959001 +0 -1.59898508 +0 -16.71982083 +0 H(ATOM 2166 1HB PHE A 137) 8.50674760 +0 -3.76344116 +0 -17.72541960 +0 H(ATOM 2167 2HB PHE A 137) 6.99182907 +0 -3.56430344 +0 -16.82598395 +0 H(ATOM 2168 HD1 PHE A 137) 6.99733150 +0 -3.60352332 +0 -14.32316327 +0 H(ATOM 2169 HD2 PHE A 137) 10.55103279 +0 -4.49226258 +0 -16.58023549 +0 H(ATOM 2170 HE1 PHE A 137) 8.03093616 +0 -4.60383376 +0 -12.30327133 +0 H(ATOM 2171 HE2 PHE A 137) 11.60372952 +0 -5.43829282 +0 -14.54352091 +0 H(ATOM 2172 HZ PHE A 137) 10.34508149 +0 -5.50707232 +0 -12.40847975 +0 N(ATOM 2173 N LYS A 138) 8.56763262 +0 -0.75974333 +0 -18.97259244 +0 C(ATOM 2174 CA LYS A 138) 8.13188169 +0 -0.27561698 +0 -20.28004877 +0 C(ATOM 2175 C LYS A 138) 8.49396053 +0 -1.38746746 +0 -21.28303983 +0 O(ATOM 2176 O LYS A 138) 9.65710395 +0 -1.73348280 +0 -21.42278896 +0 C(ATOM 2177 CB LYS A 138) 8.92892594 +0 0.98615731 +0 -20.63367212 +0 C(ATOM 2178 CG LYS A 138) 8.77758011 +0 1.40209912 +0 -22.09944457 +0 C(ATOM 2179 CD LYS A 138) 9.51290091 +0 2.73307868 +0 -22.28245421 +0 C(ATOM 2180 CE LYS A 138) 9.49194090 +0 3.20719027 +0 -23.73417063 +0 N(ATOM 2181 NZ LYS A 138) 10.44334036 +0 4.37474601 +0 -23.88867852 +0 H(ATOM 2182 H LYS A 138) 9.58399060 +0 -0.81617594 +0 -18.84404896 +0 H(ATOM 2183 HA LYS A 138) 7.02495359 +0 -0.07040857 +0 -20.27683771 +0 H(ATOM 2184 1HB LYS A 138) 10.00589430 +0 0.82270345 +0 -20.40885845 +0 H(ATOM 2185 2HB LYS A 138) 8.60592009 +0 1.81211323 +0 -19.96471825 +0 H(ATOM 2186 1HG LYS A 138) 9.19541265 +0 0.62477948 +0 -22.77019853 +0 H(ATOM 2187 2HG LYS A 138) 7.71156560 +0 1.49575844 +0 -22.37773221 +0 H(ATOM 2188 1HD LYS A 138) 9.04925121 +0 3.50260156 +0 -21.62413593 +0 H(ATOM 2189 2HD LYS A 138) 10.56579797 +0 2.63135760 +0 -21.92691362 +0 H(ATOM 2190 1HE LYS A 138) 9.80294086 +0 2.40280270 +0 -24.43855096 +0 H(ATOM 2191 2HE LYS A 138) 8.46920994 +0 3.52514726 +0 -24.04016288 +0 H(ATOM 2192 1HZ LYS A 138) 11.44359592 +0 4.06435005 +0 -23.72944615 +0 H(ATOM 2193 2HZ LYS A 138) 10.35710514 +0 4.79313517 +0 -24.83203699 +0 H(ATOM 2194 3HZ LYS A 138) 10.23124813 +0 5.10756131 +0 -23.19366277 +0 N(ATOM 2195 N PHE A 139) 7.44452552 +0 -1.96092000 +0 -21.92575311 +0 C(ATOM 2196 CA PHE A 139) 7.60888583 +0 -3.05750950 +0 -22.86450038 +0 C(ATOM 2197 C PHE A 139) 7.45093150 +0 -2.51319029 +0 -24.29568560 +0 O(ATOM 2198 O PHE A 139) 6.63562564 +0 -1.66084039 +0 -24.59534315 +0 C(ATOM 2199 CB PHE A 139) 6.46673292 +0 -4.07934055 +0 -22.69528102 +0 C(ATOM 2200 CG PHE A 139) 6.77602876 +0 -5.11125831 +0 -21.66159685 +0 C(ATOM 2201 CD1 PHE A 139) 6.56960757 +0 -4.84657434 +0 -20.30661559 +0 C(ATOM 2202 CD2 PHE A 139) 7.22100573 +0 -6.37160033 +0 -22.06682954 +0 C(ATOM 2203 CE1 PHE A 139) 6.80706666 +1 -5.84533697 +1 -19.36516344 +1 C(ATOM 2204 CE2 PHE A 139) 7.43915368 +0 -7.37166627 +0 -21.12325665 +0 C(ATOM 2205 CZ PHE A 139) 7.23049709 +1 -7.11005367 +1 -19.77059964 +1 H(ATOM 2206 H PHE A 139) 6.51333661 +0 -1.53318443 +0 -21.90214958 +0 H(ATOM 2207 HA PHE A 139) 8.61628844 +0 -3.54756184 +0 -22.71620990 +0 H(ATOM 2208 1HB PHE A 139) 6.24968740 +0 -4.57268573 +0 -23.67317815 +0 H(ATOM 2209 2HB PHE A 139) 5.51003164 +0 -3.56013234 +0 -22.45601171 +0 H(ATOM 2210 HD1 PHE A 139) 6.22045398 +0 -3.86275172 +0 -19.99564467 +0 H(ATOM 2211 HD2 PHE A 139) 7.37835638 +0 -6.57133475 +0 -23.12617397 +0 H(ATOM 2212 HE1 PHE A 139) 6.63945315 +1 -5.64708673 +1 -18.30904775 +1 H(ATOM 2213 HE2 PHE A 139) 7.76279656 +0 -8.35607334 +0 -21.45482650 +0 H(ATOM 2214 HZ PHE A 139) 7.37934318 +1 -7.89007293 +1 -19.02622936 +1 N(ATOM 2215 N GLN A 140) 8.26408109 +0 -3.09952179 +0 -25.22945267 +0 C(ATOM 2216 CA GLN A 140) 8.00150282 +0 -2.95287196 +0 -26.66090565 +0 C(ATOM 2217 C GLN A 140) 7.40530736 +0 -4.30572521 +0 -27.09528465 +0 O(ATOM 2218 O GLN A 140) 8.12394449 +0 -5.29207727 +0 -27.16885512 +0 C(ATOM 2219 CB GLN A 140) 9.33949339 +0 -2.71213607 +0 -27.37497271 +0 C(ATOM 2220 CG GLN A 140) 9.20223089 +0 -2.64414264 +0 -28.89391196 +0 C(ATOM 2221 CD GLN A 140) 10.53314170 +0 -2.19550962 +0 -29.45031180 +0 O(ATOM 2222 OE1 GLN A 140) 11.40539547 +0 -2.98542824 +0 -29.79583294 +0 N(ATOM 2223 NE2 GLN A 140) 10.77480356 +0 -0.85230284 +0 -29.50777746 +0 H(ATOM 2224 H GLN A 140) 8.88786237 +0 -3.87183962 +0 -24.96767433 +0 H(ATOM 2225 HA GLN A 140) 7.28939436 +0 -2.10600269 +0 -26.85258083 +0 H(ATOM 2226 1HB GLN A 140) 10.05709521 +0 -3.52205605 +0 -27.10924053 +0 H(ATOM 2227 2HB GLN A 140) 9.78099740 +0 -1.77132589 +0 -26.97952173 +0 H(ATOM 2228 1HG GLN A 140) 8.94083989 +0 -3.64315566 +0 -29.31532113 +0 H(ATOM 2229 2HG GLN A 140) 8.37632693 +0 -1.97802487 +0 -29.21386095 +0 H(ATOM 2230 1HE2 GLN A 140) 11.64898133 +0 -0.48860494 +0 -29.85262731 +0 H(ATOM 2231 2HE2 GLN A 140) 10.07600082 +0 -0.16620971 +0 -29.29431681 +0 N(ATOM 2232 N GLY A 141) 6.07379030 +0 -4.35429002 +0 -27.39726745 +0 C(ATOM 2233 CA GLY A 141) 5.45753489 +0 -5.66641326 +0 -27.58265954 +0 C(ATOM 2234 C GLY A 141) 5.43012507 +0 -6.43027902 +0 -26.26160612 +0 O(ATOM 2235 O GLY A 141) 5.47729510 +0 -5.87730048 +0 -25.18048841 +0 H(ATOM 2236 H GLY A 141) 5.44083198 +0 -3.58559582 +0 -27.16417928 +0 H(ATOM 2237 1HA GLY A 141) 5.99744563 +0 -6.23372235 +0 -28.38187782 +0 H(ATOM 2238 2HA GLY A 141) 4.40705140 +0 -5.53868419 +0 -27.95551268 +0 N(ATOM 2239 N GLN A 142) 5.34404566 +0 -7.80303366 +0 -26.34771541 +0 C(ATOM 2240 CA GLN A 142) 5.12077539 +0 -8.57897581 +0 -25.13122216 +0 C(ATOM 2241 C GLN A 142) 6.40807296 +0 -9.22130699 +0 -24.59028439 +0 O(ATOM 2242 O GLN A 142) 6.37997207 +0 -9.84441920 +0 -23.53548148 +0 C(ATOM 2243 CB GLN A 142) 4.12710428 +0 -9.72727707 +0 -25.38118838 +0 C(ATOM 2244 CG GLN A 142) 2.78346294 +0 -9.20182970 +0 -25.88099722 +0 C(ATOM 2245 CD GLN A 142) 1.67475186 +0 -10.14443044 +0 -25.49066881 +0 O(ATOM 2246 OE1 GLN A 142) 1.84008166 +0 -11.34656277 +0 -25.32327809 +0 N(ATOM 2247 NE2 GLN A 142) 0.42724697 +0 -9.60486842 +0 -25.31674210 +0 H(ATOM 2248 H GLN A 142) 5.25426225 +0 -8.28162594 +0 -27.24815042 +0 H(ATOM 2249 HA GLN A 142) 4.73239162 +0 -7.89805308 +0 -24.31299657 +0 H(ATOM 2250 1HB GLN A 142) 3.98324677 +0 -10.30054681 +0 -24.43937817 +0 H(ATOM 2251 2HB GLN A 142) 4.54500750 +0 -10.46200222 +0 -26.10249575 +0 H(ATOM 2252 1HG GLN A 142) 2.59031670 +0 -8.17183265 +0 -25.51402113 +0 H(ATOM 2253 2HG GLN A 142) 2.78761985 +0 -9.09801919 +0 -26.99250738 +0 H(ATOM 2254 1HE2 GLN A 142) 0.22436649 +0 -8.63584774 +0 -25.48319062 +0 H(ATOM 2255 2HE2 GLN A 142) -0.36329463 +0 -10.19328109 +0 -25.14524102 +0 N(ATOM 2256 N ASP A 143) 7.58523349 +0 -9.04552516 +0 -25.26549692 +0 C(ATOM 2257 CA ASP A 143) 8.75406514 +0 -9.83081225 +0 -24.86876490 +0 C(ATOM 2258 C ASP A 143) 9.91829630 +0 -8.92310462 +0 -24.42864748 +0 O(ATOM 2259 O ASP A 143) 10.83976351 +0 -9.39952930 +0 -23.76469404 +0 C(ATOM 2260 CB ASP A 143) 9.25576485 +0 -10.68298217 +0 -26.03608536 +0 C(ATOM 2261 CG ASP A 143) 8.16796489 +0 -11.65313172 +0 -26.51107815 +0 O(ATOM 2262 OD1 ASP A 143) 7.31248137 +0 -12.03821684 +0 -25.69674765 +0 O(ATOM 2263 OD2 ASP A 143) 8.22457419 +0 -12.02914371 +0 -27.69546973 +0 H(ATOM 2264 H ASP A 143) 7.60044061 +0 -8.63960843 +0 -26.20279026 +0 H(ATOM 2265 HA ASP A 143) 8.48364057 +0 -10.49529965 +0 -23.99387333 +0 H(ATOM 2266 1HB ASP A 143) 10.14768856 +0 -11.27476682 +0 -25.74082196 +0 H(ATOM 2267 2HB ASP A 143) 9.57849727 +0 -10.05573413 +0 -26.89327082 +0 N(ATOM 2268 N THR A 144) 9.93396787 +0 -7.62041818 +0 -24.82572635 +0 C(ATOM 2269 CA THR A 144) 11.13431237 +0 -6.80895025 +0 -24.67531487 +0 C(ATOM 2270 C THR A 144) 10.88104862 +0 -5.71757609 +0 -23.62852985 +0 O(ATOM 2271 O THR A 144) 10.03562494 +0 -4.85240898 +0 -23.79209118 +0 C(ATOM 2272 CB THR A 144) 11.46379127 +0 -6.08469572 +0 -26.02114838 +0 O(ATOM 2273 OG1 THR A 144) 11.57002011 +0 -7.07943873 +0 -27.01772513 +0 C(ATOM 2274 CG2 THR A 144) 12.81450178 +0 -5.39420109 +0 -25.93334952 +0 H(ATOM 2275 H THR A 144) 9.16502914 +0 -7.19668591 +0 -25.33582974 +0 H(ATOM 2276 HA THR A 144) 12.00586892 +0 -7.46584956 +0 -24.39179626 +0 H(ATOM 2277 HB THR A 144) 10.64873573 +0 -5.37792560 +0 -26.30333366 +0 H(ATOM 2278 HG1 THR A 144) 10.67045241 +0 -7.35613869 +0 -27.31955207 +0 H(ATOM 2279 1HG2 THR A 144) 13.10853594 +0 -4.97801117 +0 -26.90769191 +0 H(ATOM 2280 2HG2 THR A 144) 12.79577706 +0 -4.55916150 +0 -25.22005933 +0 H(ATOM 2281 3HG2 THR A 144) 13.61998751 +0 -6.07792885 +0 -25.63027175 +0 N(ATOM 2282 N ILE A 145) 11.68568269 +0 -5.74626838 +0 -22.53074236 +0 C(ATOM 2283 CA ILE A 145) 11.63139819 +0 -4.66654592 +0 -21.54828902 +0 C(ATOM 2284 C ILE A 145) 12.70622304 +0 -3.64728363 +0 -21.97613760 +0 O(ATOM 2285 O ILE A 145) 13.88904683 +0 -3.92850224 +0 -22.05946033 +0 C(ATOM 2286 CB ILE A 145) 11.96529230 +0 -5.19669759 +0 -20.13442414 +0 C(ATOM 2287 CG1 ILE A 145) 10.87220601 +0 -6.18469529 +0 -19.69134991 +0 C(ATOM 2288 CG2 ILE A 145) 12.09202535 +0 -4.02620076 +0 -19.15840539 +0 C(ATOM 2289 CD1 ILE A 145) 11.34496102 +0 -7.01506250 +0 -18.50064824 +0 H(ATOM 2290 H ILE A 145) 12.40933270 +0 -6.46215312 +0 -22.38885371 +0 H(ATOM 2291 HA ILE A 145) 10.60574505 +0 -4.19662509 +0 -21.54565646 +0 H(ATOM 2292 HB ILE A 145) 12.94806698 +0 -5.73416340 +0 -20.17768339 +0 H(ATOM 2293 1HG1 ILE A 145) 9.93728859 +0 -5.64516274 +0 -19.45014603 +0 H(ATOM 2294 2HG1 ILE A 145) 10.60491581 +0 -6.86052914 +0 -20.52892368 +0 H(ATOM 2295 1HG2 ILE A 145) 12.93236129 +0 -3.36884038 +0 -19.41781363 +0 H(ATOM 2296 2HG2 ILE A 145) 11.19036955 +0 -3.40234067 +0 -19.12997732 +0 H(ATOM 2297 3HG2 ILE A 145) 12.28243510 +0 -4.38777460 +0 -18.14040756 +0 H(ATOM 2298 1HD1 ILE A 145) 10.57440322 +0 -7.72261720 +0 -18.18226775 +0 H(ATOM 2299 2HD1 ILE A 145) 12.24777299 +0 -7.59022276 +0 -18.75494030 +0 H(ATOM 2300 3HD1 ILE A 145) 11.59528524 +0 -6.38265007 +0 -17.64131993 +0 N(ATOM 2301 N LEU A 146) 12.22879037 +0 -2.40190110 +0 -22.26977616 +0 C(ATOM 2302 CA LEU A 146) 13.11257296 +0 -1.32166290 +0 -22.69330338 +0 C(ATOM 2303 C LEU A 146) 13.64482257 +0 -0.56755638 +0 -21.44751133 +0 O(ATOM 2304 O LEU A 146) 14.83822120 +0 -0.34433756 +0 -21.32747496 +0 C(ATOM 2305 CB LEU A 146) 12.36276834 +0 -0.31208696 +0 -23.57277921 +0 C(ATOM 2306 CG LEU A 146) 11.83367269 +0 -0.90753030 +0 -24.89152717 +0 C(ATOM 2307 CD1 LEU A 146) 11.08867430 +0 0.20655676 +0 -25.64139407 +0 C(ATOM 2308 CD2 LEU A 146) 12.95660843 +0 -1.46402577 +0 -25.76848956 +0 H(ATOM 2309 H LEU A 146) 11.22770282 +0 -2.20127914 +0 -22.23730107 +0 H(ATOM 2310 HA LEU A 146) 14.00328204 +0 -1.74751065 +0 -23.24050089 +0 H(ATOM 2311 1HB LEU A 146) 11.50899301 +0 0.12173265 +0 -23.01191361 +0 H(ATOM 2312 2HB LEU A 146) 13.03335424 +0 0.54573495 +0 -23.79331004 +0 H(ATOM 2313 HG LEU A 146) 11.11367267 +0 -1.73190315 +0 -24.66162478 +0 H(ATOM 2314 1HD1 LEU A 146) 10.16888743 +0 0.49169348 +0 -25.12345563 +0 H(ATOM 2315 2HD1 LEU A 146) 11.71160825 +0 1.10446371 +0 -25.74910208 +0 H(ATOM 2316 3HD1 LEU A 146) 10.81638576 +0 -0.09705584 +0 -26.65729952 +0 H(ATOM 2317 1HD2 LEU A 146) 13.47977794 +0 -2.29656618 +0 -25.28389581 +0 H(ATOM 2318 2HD2 LEU A 146) 12.56371804 +0 -1.83827258 +0 -26.72110753 +0 H(ATOM 2319 3HD2 LEU A 146) 13.69974802 +0 -0.69512723 +0 -26.00938236 +0 N(ATOM 2320 N ASP A 147) 12.71263814 +0 -0.16305121 +0 -20.53171661 +0 C(ATOM 2321 CA ASP A 147) 13.09373633 +0 0.53726727 +0 -19.30869664 +0 C(ATOM 2322 C ASP A 147) 12.44260178 +0 -0.21037091 +0 -18.12619131 +0 O(ATOM 2323 O ASP A 147) 11.33322362 +0 -0.71706703 +0 -18.23711175 +0 C(ATOM 2324 CB ASP A 147) 12.49918770 +0 1.95459962 +0 -19.21893749 +0 C(ATOM 2325 CG ASP A 147) 12.81335818 +0 2.84460404 +0 -20.40947868 +0 O(ATOM 2326 OD1 ASP A 147) 13.77489819 +0 2.59498221 +0 -21.15449267 +0 O(ATOM 2327 OD2 ASP A 147) 12.05187086 +0 3.82775683 +0 -20.59227118 +0 H(ATOM 2328 H ASP A 147) 11.74825443 +0 -0.49233949 +0 -20.59163524 +0 H(ATOM 2329 HA ASP A 147) 14.21620479 +0 0.58436068 +0 -19.23147530 +0 H(ATOM 2330 1HB ASP A 147) 12.88586491 +0 2.46313836 +0 -18.30409884 +0 H(ATOM 2331 2HB ASP A 147) 11.39747226 +0 1.91776795 +0 -19.09149849 +0 N(ATOM 2332 N TYR A 148) 13.06417422 +0 -0.18879348 +0 -16.91495916 +0 C(ATOM 2333 CA TYR A 148) 12.27281426 +0 -0.60591760 +0 -15.75291277 +0 C(ATOM 2334 C TYR A 148) 12.85191245 +0 0.03931784 +0 -14.49221097 +0 O(ATOM 2335 O TYR A 148) 14.03093752 +0 0.34051575 +0 -14.38800656 +0 C(ATOM 2336 CB TYR A 148) 12.22173835 +0 -2.13684067 +0 -15.56158749 +0 C(ATOM 2337 CG TYR A 148) 13.43873372 +0 -2.72702589 +0 -14.92615686 +0 C(ATOM 2338 CD1 TYR A 148) 13.52480602 +0 -2.79884506 +0 -13.53233008 +0 C(ATOM 2339 CD2 TYR A 148) 14.47994914 +0 -3.22445199 +0 -15.71540981 +0 C(ATOM 2340 CE1 TYR A 148) 14.65204076 +0 -3.33087543 +0 -12.91835527 +0 C(ATOM 2341 CE2 TYR A 148) 15.61434396 +0 -3.77389308 +0 -15.12642219 +0 C(ATOM 2342 CZ TYR A 148) 15.68053173 +0 -3.80808043 +0 -13.73211668 +0 O(ATOM 2343 OH TYR A 148) 16.79791192 +0 -4.35966850 +0 -13.18925798 +0 H(ATOM 2344 H TYR A 148) 14.00355433 +0 0.16182851 +0 -16.75323966 +0 H(ATOM 2345 HA TYR A 148) 11.20508732 +0 -0.24821949 +0 -15.91460442 +0 H(ATOM 2346 1HB TYR A 148) 12.02121304 +0 -2.60450465 +0 -16.55124341 +0 H(ATOM 2347 2HB TYR A 148) 11.31836754 +0 -2.37310801 +0 -14.94673565 +0 H(ATOM 2348 HD1 TYR A 148) 12.70318105 +0 -2.43047689 +0 -12.91707817 +0 H(ATOM 2349 HD2 TYR A 148) 14.40584780 +0 -3.18042817 +0 -16.80437394 +0 H(ATOM 2350 HE1 TYR A 148) 14.73792850 +0 -3.37298609 +0 -11.83561447 +0 H(ATOM 2351 HE2 TYR A 148) 16.42893145 +0 -4.16958306 +0 -15.72913151 +0 H(ATOM 2352 HH TYR A 148) 16.88047347 +0 -4.18704173 +0 -12.20933684 +0 N(ATOM 2353 N THR A 149) 11.95800624 +0 0.24288116 +0 -13.47579303 +0 C(ATOM 2354 CA THR A 149) 12.43465594 +0 0.53914925 +0 -12.13570167 +0 C(ATOM 2355 C THR A 149) 11.80387050 +0 -0.47725348 +0 -11.17557232 +0 O(ATOM 2356 O THR A 149) 10.72772810 +0 -1.02566857 +0 -11.36518926 +0 C(ATOM 2357 CB THR A 149) 12.06578564 +0 1.97182924 +0 -11.64512004 +0 O(ATOM 2358 OG1 THR A 149) 10.65614858 +0 2.08250314 +0 -11.59193022 +0 C(ATOM 2359 CG2 THR A 149) 12.58133118 +0 3.03008667 +0 -12.60370634 +0 H(ATOM 2360 H THR A 149) 10.96294277 +0 0.01658292 +0 -13.56915789 +0 H(ATOM 2361 HA THR A 149) 13.56511075 +0 0.45427245 +0 -12.10876137 +0 H(ATOM 2362 HB THR A 149) 12.47370024 +0 2.12220031 +0 -10.61611879 +0 H(ATOM 2363 HG1 THR A 149) 10.30775137 +0 1.77179608 +0 -10.72397740 +0 H(ATOM 2364 1HG2 THR A 149) 12.38269235 +0 4.04157011 +0 -12.22622637 +0 H(ATOM 2365 2HG2 THR A 149) 13.67072926 +0 2.94108321 +0 -12.73680584 +0 H(ATOM 2366 3HG2 THR A 149) 12.12268092 +0 2.94804235 +0 -13.59775799 +0 N(ATOM 2367 N LEU A 150) 12.51393958 +0 -0.72997417 +0 -10.03565870 +0 C(ATOM 2368 CA LEU A 150) 11.99295415 +0 -1.70189767 +0 -9.07221211 +0 C(ATOM 2369 C LEU A 150) 12.57507022 +0 -1.32826950 +0 -7.70569342 +0 O(ATOM 2370 O LEU A 150) 13.78264068 +0 -1.30833512 +0 -7.51474282 +0 C(ATOM 2371 CB LEU A 150) 12.46335464 +0 -3.12488419 +0 -9.42752533 +0 C(ATOM 2372 CG LEU A 150) 11.94532294 +0 -4.18628372 +0 -8.44330305 +0 C(ATOM 2373 CD1 LEU A 150) 10.41321867 +0 -4.22475945 +0 -8.40915458 +0 C(ATOM 2374 CD2 LEU A 150) 12.50279004 +0 -5.55336276 +0 -8.85741277 +0 H(ATOM 2375 H LEU A 150) 13.44666576 +0 -0.35157487 +0 -9.86453636 +0 H(ATOM 2376 HA LEU A 150) 10.86735083 +0 -1.65528213 +0 -9.06806049 +0 H(ATOM 2377 1HB LEU A 150) 12.13349836 +0 -3.36378695 +0 -10.45884518 +0 H(ATOM 2378 2HB LEU A 150) 13.57507438 +0 -3.14941439 +0 -9.44741962 +0 H(ATOM 2379 HG LEU A 150) 12.32353601 +0 -3.94863274 +0 -7.41778819 +0 H(ATOM 2380 1HD1 LEU A 150) 9.99666868 +0 -3.30818123 +0 -7.97636041 +0 H(ATOM 2381 2HD1 LEU A 150) 9.99464708 +0 -4.34083607 +0 -9.41450281 +0 H(ATOM 2382 3HD1 LEU A 150) 10.05676590 +0 -5.05795834 +0 -7.79178703 +0 H(ATOM 2383 1HD2 LEU A 150) 13.60116018 +0 -5.54061639 +0 -8.88566644 +0 H(ATOM 2384 2HD2 LEU A 150) 12.21769836 +0 -6.33498548 +0 -8.14216677 +0 H(ATOM 2385 3HD2 LEU A 150) 12.14558030 +0 -5.84990304 +0 -9.84792378 +0 N(ATOM 2386 N ARG A 151) 11.69550843 +0 -1.00666843 +0 -6.71366808 +0 C(ATOM 2387 CA ARG A 151) 12.20549470 +0 -0.69738839 +0 -5.37913160 +0 C(ATOM 2388 C ARG A 151) 11.32112510 +0 -1.40265061 +0 -4.34880511 +0 O(ATOM 2389 O ARG A 151) 10.16975153 +0 -1.74273374 +0 -4.57707061 +0 C(ATOM 2390 CB ARG A 151) 12.20891033 +0 0.81604536 +0 -5.09080220 +0 C(ATOM 2391 CG ARG A 151) 10.81090339 +0 1.43745337 +0 -5.12150863 +0 C(ATOM 2392 CD ARG A 151) 10.85091516 +0 2.90918364 +0 -4.66139199 +0 N(ATOM 2393 NE ARG A 151) 9.96599230 +0 3.76508739 +0 -5.46671716 +0 C(ATOM 2394 CZ ARG A 151) 8.67897922 +0 4.13659385 +0 -5.06936609 +0 N(ATOM 2395 NH1 ARG A 151) 8.32710584 +0 4.10550144 +0 -3.71701737 +0 N(ATOM 2396 NH2 ARG A 151) 7.84328002 +0 4.48939673 +0 -6.02491016 +0 H(ATOM 2397 H ARG A 151) 10.68109537 +0 -1.02654632 +0 -6.81804007 +0 H(ATOM 2398 HA ARG A 151) 13.27232510 +0 -1.07379993 +0 -5.29158669 +0 H(ATOM 2399 1HB ARG A 151) 12.69827757 +0 0.99991008 +0 -4.10962603 +0 H(ATOM 2400 2HB ARG A 151) 12.86928842 +0 1.31757705 +0 -5.83380089 +0 H(ATOM 2401 1HG ARG A 151) 10.39981953 +0 1.36335840 +0 -6.14603805 +0 H(ATOM 2402 2HG ARG A 151) 10.11693612 +0 0.86606208 +0 -4.47496138 +0 H(ATOM 2403 1HD ARG A 151) 10.63496089 +0 2.98464934 +0 -3.57412432 +0 H(ATOM 2404 2HD ARG A 151) 11.88200732 +0 3.33589925 +0 -4.77878699 +0 H(ATOM 2405 HE ARG A 151) 10.06774192 +0 3.60484986 +0 -6.47367854 +0 H(ATOM 2406 1HH1 ARG A 151) 7.69045535 +0 4.82490559 +0 -3.38408851 +0 H(ATOM 2407 2HH1 ARG A 151) 9.02735258 +0 3.88162830 +0 -3.02458805 +0 H(ATOM 2408 HH2 ARG A 151) 6.98991055 +0 4.96887912 +0 -5.75571173 +0 N(ATOM 2409 N GLU A 152) 11.92436777 +0 -1.68065334 +0 -3.15075679 +0 C(ATOM 2410 CA GLU A 152) 11.09324051 +0 -2.14272117 +0 -2.03722473 +0 C(ATOM 2411 C GLU A 152) 10.45884413 +0 -0.89921821 +0 -1.38766511 +0 O(ATOM 2412 O GLU A 152) 11.05593070 +0 0.16223661 +0 -1.31141492 +0 C(ATOM 2413 CB GLU A 152) 11.95208705 +0 -2.86779354 +0 -0.99074689 +0 C(ATOM 2414 CG GLU A 152) 12.56824693 +0 -4.11133930 +0 -1.62406927 +0 C(ATOM 2415 CD GLU A 152) 13.40197061 +0 -4.91967978 +0 -0.69424400 +0 O(ATOM 2416 OE1 GLU A 152) 13.37486146 +0 -4.50817120 +0 0.58051332 +0 O(ATOM 2417 OE2 GLU A 152) 14.05220606 +0 -5.89080055 +0 -1.02881823 +0 H(ATOM 2418 H GLU A 152) 12.80540022 +0 -1.22899623 +0 -2.88977360 +0 H(ATOM 2419 HA GLU A 152) 10.29400674 +0 -2.83886603 +0 -2.42977374 +0 H(ATOM 2420 1HB GLU A 152) 11.32659109 +0 -3.13527016 +0 -0.11058683 +0 H(ATOM 2421 2HB GLU A 152) 12.73947198 +0 -2.19357895 +0 -0.58740479 +0 H(ATOM 2422 1HG GLU A 152) 11.77390180 +0 -4.76440886 +0 -2.05775008 +0 H(ATOM 2423 2HG GLU A 152) 13.21282551 +0 -3.81711899 +0 -2.49234684 +0 H(ATOM 2424 HE1 GLU A 152) 13.95561156 +0 -5.04171591 +0 1.19786397 +0 N(ATOM 2425 N VAL A 153) 9.19586263 +0 -1.06905181 +0 -0.90983870 +0 C(ATOM 2426 CA VAL A 153) 8.47508708 +0 0.02976395 +0 -0.28196645 +0 C(ATOM 2427 C VAL A 153) 7.93500271 +0 -0.48919441 +0 1.05703992 +0 O(ATOM 2428 O VAL A 153) 7.86505767 +0 -1.67408359 +0 1.33037573 +0 C(ATOM 2429 CB VAL A 153) 7.30438540 +0 0.54174745 +0 -1.16783601 +0 C(ATOM 2430 CG1 VAL A 153) 7.86868535 +0 1.05951503 +0 -2.49245064 +0 C(ATOM 2431 CG2 VAL A 153) 6.24742946 +0 -0.53446014 +0 -1.41252888 +0 H(ATOM 2432 H VAL A 153) 8.68496860 +0 -1.94752129 +0 -1.01606888 +0 H(ATOM 2433 HA VAL A 153) 9.18642030 +0 0.88926312 +0 -0.09404824 +0 H(ATOM 2434 HB VAL A 153) 6.82112859 +0 1.39803631 +0 -0.62832545 +0 H(ATOM 2435 1HG1 VAL A 153) 8.77069359 +0 1.66544047 +0 -2.33648043 +0 H(ATOM 2436 2HG1 VAL A 153) 8.14810044 +0 0.24117784 +0 -3.16534691 +0 H(ATOM 2437 3HG1 VAL A 153) 7.14034741 +0 1.69143840 +0 -3.01295729 +0 H(ATOM 2438 1HG2 VAL A 153) 5.89155298 +0 -0.97843508 +0 -0.47500768 +0 H(ATOM 2439 2HG2 VAL A 153) 5.37188744 +0 -0.09675556 +0 -1.91281203 +0 H(ATOM 2440 3HG2 VAL A 153) 6.62132199 +0 -1.34509836 +0 -2.04651587 +0 N(ATOM 2441 N ASP A 154) 7.52764595 +0 0.47485598 +0 1.94593648 +0 C(ATOM 2442 CA ASP A 154) 6.89528009 +0 0.09716151 +0 3.20688965 +0 C(ATOM 2443 C ASP A 154) 5.35503300 +0 0.15769939 +0 3.09030708 +0 O(ATOM 2444 O ASP A 154) 4.65583003 +0 -0.64314153 +0 3.68325492 +0 C(ATOM 2445 CB ASP A 154) 7.34999692 +0 1.04054787 +0 4.32598362 +0 C(ATOM 2446 CG ASP A 154) 8.74036038 +0 0.71574289 +0 4.77092735 +0 O(ATOM 2447 OD1 ASP A 154) 8.86448724 +0 -0.58046902 +0 5.10421324 +0 O(ATOM 2448 OD2 ASP A 154) 9.67663664 +0 1.47724701 +0 4.85187710 +0 H(ATOM 2449 H ASP A 154) 7.55263767 +0 1.47255127 +0 1.71458876 +0 H(ATOM 2450 HA ASP A 154) 7.16071241 +0 -0.97844348 +0 3.45847052 +0 H(ATOM 2451 1HB ASP A 154) 6.65711137 +0 0.98093519 +0 5.20391819 +0 H(ATOM 2452 2HB ASP A 154) 7.29848568 +0 2.11074356 +0 4.00783351 +0 H(ATOM 2453 HD1 ASP A 154) 9.79067768 +0 -0.85140729 +0 5.38136688 +0 N(ATOM 2454 N THR A 155) 4.82393669 +0 1.15910589 +0 2.31997444 +0 C(ATOM 2455 CA THR A 155) 3.40081400 +0 1.18511737 +0 1.99727041 +0 C(ATOM 2456 C THR A 155) 3.26701309 +0 0.89271041 +0 0.49343203 +0 O(ATOM 2457 O THR A 155) 3.87108347 +0 1.55790902 +0 -0.33081361 +0 C(ATOM 2458 CB THR A 155) 2.82685220 +0 2.61069546 +0 2.25532277 +0 O(ATOM 2459 OG1 THR A 155) 2.78631549 +0 2.82065273 +0 3.65491173 +0 C(ATOM 2460 CG2 THR A 155) 1.39421613 +0 2.73486739 +0 1.76336238 +0 H(ATOM 2461 H THR A 155) 5.41563635 +0 1.79410189 +0 1.78343172 +0 H(ATOM 2462 HA THR A 155) 2.84515701 +0 0.43920136 +0 2.63247062 +0 H(ATOM 2463 HB THR A 155) 3.48984818 +0 3.38960370 +0 1.81063136 +0 H(ATOM 2464 HG1 THR A 155) 3.68592406 +0 2.70183584 +0 4.03823756 +0 H(ATOM 2465 1HG2 THR A 155) 0.96343069 +0 3.70449223 +0 2.05307313 +0 H(ATOM 2466 2HG2 THR A 155) 1.34016523 +0 2.67391546 +0 0.66600546 +0 H(ATOM 2467 3HG2 THR A 155) 0.73727048 +0 1.95750220 +0 2.17570277 +0 N(ATOM 2468 N VAL A 156) 2.43680434 +0 -0.13051915 +0 0.14446605 +0 C(ATOM 2469 CA VAL A 156) 2.18744167 +0 -0.42996822 +0 -1.26561131 +0 C(ATOM 2470 C VAL A 156) 1.19579947 +0 0.61015231 +0 -1.84793533 +0 O(ATOM 2471 O VAL A 156) 1.48702629 +0 1.13883967 +0 -2.94723187 +0 C(ATOM 2472 CB VAL A 156) 1.53198262 +0 -1.82690001 +0 -1.41916520 +0 C(ATOM 2473 CG1 VAL A 156) 1.12836132 +0 -2.04109113 +0 -2.87995315 +0 C(ATOM 2474 CG2 VAL A 156) 2.48793065 +0 -2.92539924 +0 -0.96081494 +0 O(ATOM 2475 OXT VAL A 156) 0.14282231 +0 0.85871227 +0 -1.23912511 +0 H(ATOM 2476 H VAL A 156) 1.95216819 +0 -0.69547370 +0 0.84013960 +0 H(ATOM 2477 HA VAL A 156) 3.15442152 +0 -0.38384001 +0 -1.83015061 +0 H(ATOM 2478 HB VAL A 156) 0.61241108 +0 -1.85561976 +0 -0.78089216 +0 H(ATOM 2479 1HG1 VAL A 156) 0.36215016 +0 -1.32468529 +0 -3.20432828 +0 H(ATOM 2480 2HG1 VAL A 156) 1.98131474 +0 -1.93326747 +0 -3.55906433 +0 H(ATOM 2481 3HG1 VAL A 156) 0.71464154 +0 -3.04603063 +0 -3.03085115 +0 H(ATOM 2482 1HG2 VAL A 156) 2.87670990 +0 -2.73591179 +0 0.04822279 +0 H(ATOM 2483 2HG2 VAL A 156) 1.97821832 +0 -3.89780362 +0 -0.90920044 +0 H(ATOM 2484 3HG2 VAL A 156) 3.34311110 +0 -3.03786168 +0 -1.63619177 +0 O(HETATM 2485 OP3 8OG A1157) -6.04099635 +1 -11.43666615 +1 -17.98379388 +1 P(HETATM 2486 P 8OG A1157) -6.57588656 +1 -10.04644433 +1 -17.98883660 +1 O(HETATM 2487 O5' 8OG A1157) -5.64858970 +1 -9.04480875 +1 -17.13321520 +1 C(HETATM 2488 C5' 8OG A1157) -4.22002802 +1 -9.05828048 +1 -17.22932294 +1 C(HETATM 2489 C4' 8OG A1157) -3.68887037 +1 -9.83996512 +1 -16.01427820 +1 O(HETATM 2490 O4' 8OG A1157) -2.27777796 +1 -10.00529314 +1 -16.16489939 +1 C(HETATM 2491 C1' 8OG A1157) -1.57684223 +1 -9.26501763 +1 -15.15788300 +1 C(HETATM 2492 C2' 8OG A1157) -2.58166613 +1 -8.26101023 +1 -14.56887390 +1 N(HETATM 2493 N9 8OG A1157) -0.40784006 +1 -8.67929746 +1 -15.76249267 +1 C(HETATM 2494 C4 8OG A1157) 0.87081173 +1 -9.18897978 +1 -15.51780174 +1 C(HETATM 2495 C5 8OG A1157) 1.79183670 +1 -8.52887675 +1 -16.35550918 +1 N(HETATM 2496 N7 8OG A1157) 1.05970085 +1 -7.60637030 +1 -17.13674379 +1 C(HETATM 2497 C8 8OG A1157) -0.29674074 +1 -7.73413172 +1 -16.85052682 +1 O(HETATM 2498 O8 8OG A1157) -1.23286176 +1 -7.15297810 +1 -17.34527796 +1 C(HETATM 2499 C6 8OG A1157) 3.16231216 +1 -8.94351733 +1 -16.29276968 +1 O(HETATM 2500 O6 8OG A1157) 4.02180888 +1 -8.46784085 +1 -17.07516913 +1 N(HETATM 2501 N1 8OG A1157) 3.50262954 +1 -9.93332317 +1 -15.38390373 +1 C(HETATM 2502 C2 8OG A1157) 2.50972682 +1 -10.51300245 +1 -14.64533005 +1 N(HETATM 2503 N2 8OG A1157) 2.83426748 +1 -11.50419705 +1 -13.72955897 +1 N(HETATM 2504 N3 8OG A1157) 1.17531076 +1 -10.20323097 +1 -14.68855911 +1 C(HETATM 2505 C3' 8OG A1157) -3.89692552 +1 -9.04515561 +1 -14.70594220 +1 O(HETATM 2506 O3' 8OG A1157) -3.96483080 +1 -10.01389379 +1 -13.68173932 +1 O(HETATM 2507 OP2 8OG A1157) -6.38173949 +1 -9.55609723 +1 -19.50682575 +1 O(HETATM 2508 OP1 8OG A1157) -7.94478632 +1 -9.77263905 +1 -17.46273020 +1 H(HETATM 2509 1H5' 8OG A1157) -3.97200442 +1 -7.97289440 +1 -17.17491004 +1 H(HETATM 2510 2H5' 8OG A1157) -3.77950758 +1 -9.44500531 +1 -18.16758224 +1 H(HETATM 2511 H1' 8OG A1157) -1.25941660 +1 -10.03884167 +1 -14.39848434 +1 H(HETATM 2512 1H2' 8OG A1157) -2.60211553 +1 -7.31546024 +1 -15.14439048 +1 H(HETATM 2513 2H2' 8OG A1157) -2.34617815 +1 -8.00325105 +1 -13.52651591 +1 H(HETATM 2514 H7 8OG A1157) 1.46755408 +1 -7.09708325 +1 -17.92315838 +1 H(HETATM 2515 1H2 8OG A1157) 3.65965054 +1 -12.04632073 +1 -13.92746126 +1 H(HETATM 2516 2H2 8OG A1157) 2.03110529 +1 -12.08326510 +1 -13.45098478 +1 H(HETATM 2517 H4' 8OG A1157) -4.08299685 +1 -10.87690272 +1 -15.95455719 +1 H(HETATM 2518 1H3' 8OG A1157) -4.25334506 +1 -9.61530317 +1 -12.83122016 +1 H(HETATM 2519 2H3' 8OG A1157) -4.81225025 +1 -8.42686739 +1 -14.69804088 +1 H(HETATM 2520 HP2 8OG A1157) -6.91871234 +1 -8.69124516 +1 -19.65554514 +1 S(HETATM 2521 S SO4 A1158) -2.84362266 +0 -5.48169238 +0 4.10742361 +0 O(HETATM 2522 O1 SO4 A1158) -1.76030222 +0 -6.68795873 +0 4.03612909 +0 O(HETATM 2523 O4 SO4 A1158) -1.88013407 +0 -4.21571013 +0 4.31869366 +0 O(HETATM 2524 O3 SO4 A1158) -3.73906824 +0 -5.70692224 +0 5.20251368 +0 O(HETATM 2525 O2 SO4 A1158) -3.35325319 +0 -5.39733536 +0 2.74578531 +0 H(HETATM 2526 H1 SO4 A1158) -0.79989019 +0 -6.47601026 +0 4.02096753 +0 H(HETATM 2527 H4 SO4 A1158) -1.68955831 +0 -3.86264461 +0 5.22956549 +0 S(HETATM 2528 S SO4 A1159) -3.29917559 +0 -15.30399824 +0 5.04076527 +0 O(HETATM 2529 O1 SO4 A1159) -1.78033357 +0 -14.88910574 +0 4.72715598 +0 O(HETATM 2530 O4 SO4 A1159) -3.82136358 +0 -14.10624969 +0 5.95227858 +0 O(HETATM 2531 O3 SO4 A1159) -3.31176762 +0 -16.56934913 +0 5.71486204 +0 O(HETATM 2532 O2 SO4 A1159) -4.00635369 +0 -15.20733610 +0 3.75650140 +0 H(HETATM 2533 H1 SO4 A1159) -1.50922458 +0 -14.30778762 +0 3.94717649 +0 H(HETATM 2534 H4 SO4 A1159) -3.80181380 +0 -14.19345679 +0 6.94716162 +0 O(HETATM 2535 O HOH A2001) -2.03123175 +0 7.58104666 +0 -20.12978342 +0 H(HETATM 2536 1H HOH A2001) -1.98661489 +0 6.96881905 +0 -20.86608446 +0 H(HETATM 2537 2H HOH A2001) -2.22696056 +0 7.02893550 +0 -19.35791237 +0 O(HETATM 2538 O HOH A2002) -9.83747455 +0 -1.02025385 +0 -14.38964619 +0 H(HETATM 2539 1H HOH A2002) -9.05197739 +0 -1.55993692 +0 -14.24809090 +0 H(HETATM 2540 2H HOH A2002) -10.59022833 +0 -1.49738003 +0 -14.00022760 +0 O(HETATM 2541 O HOH A2003) -5.12003689 +0 -0.90544315 +0 -20.12784124 +0 H(HETATM 2542 1H HOH A2003) -4.49877935 +0 -0.82028209 +0 -20.86887838 +0 H(HETATM 2543 2H HOH A2003) -5.17356842 +0 -0.02618930 +0 -19.75734848 +0 O(HETATM 2544 O HOH A2004) -9.88071501 +0 -7.46934140 +0 -11.06103070 +0 H(HETATM 2545 1H HOH A2004) -9.06620121 +0 -7.26456217 +0 -11.52410514 +0 H(HETATM 2546 2H HOH A2004) -9.59961075 +0 -7.77502324 +0 -10.19871885 +0 O(HETATM 2547 O HOH A2005) 0.50998811 +0 -30.09004162 +0 -6.75554562 +0 H(HETATM 2548 1H HOH A2005) 1.04389614 +0 -29.66889580 +0 -6.05221793 +0 H(HETATM 2549 2H HOH A2005) -0.38905179 +0 -29.95776117 +0 -6.45610100 +0 O(HETATM 2550 O HOH A2006) -2.19294660 +0 -17.55709253 +0 -7.36694857 +0 H(HETATM 2551 1H HOH A2006) -1.56424666 +0 -18.14926665 +0 -7.81706418 +0 H(HETATM 2552 2H HOH A2006) -2.27528907 +0 -16.76547738 +0 -7.89862976 +0 O(HETATM 2553 O HOH A2007) -1.19812918 +0 -20.08977127 +0 -25.71962741 +0 H(HETATM 2554 1H HOH A2007) -1.29912980 +0 -20.95768933 +0 -25.29698524 +0 H(HETATM 2555 2H HOH A2007) -1.27018437 +0 -19.48236398 +0 -24.97982374 +0 O(HETATM 2556 O HOH A2008) 2.85949991 +0 -18.63001893 +0 2.75255948 +0 H(HETATM 2557 1H HOH A2008) 2.39759015 +0 -18.50234730 +0 1.91737585 +0 H(HETATM 2558 2H HOH A2008) 2.17458227 +0 -18.65049439 +0 3.41841392 +0 O(HETATM 2559 O HOH A2009) 6.48634783 +0 -18.96044485 +0 0.84145985 +0 H(HETATM 2560 1H HOH A2009) 5.62511386 +0 -19.18892799 +0 0.46806206 +0 H(HETATM 2561 2H HOH A2009) 6.84759624 +0 -19.82227703 +0 1.09155062 +0 O(HETATM 2562 O HOH A2010) 0.73254862 +0 -25.98449899 +0 1.27472845 +0 H(HETATM 2563 1H HOH A2010) 0.64494737 +0 -26.60803122 +0 0.53500631 +0 H(HETATM 2564 2H HOH A2010) 0.17435002 +0 -25.24682141 +0 0.96234030 +0 O(HETATM 2565 O HOH A2011) 3.36246234 +0 -25.49908546 +0 1.11675882 +0 H(HETATM 2566 1H HOH A2011) 3.68442298 +0 -26.17913072 +0 1.71058319 +0 H(HETATM 2567 2H HOH A2011) 2.39355066 +0 -25.59094749 +0 1.13509282 +0 O(HETATM 2568 O HOH A2012) 9.17503226 +0 -25.07745275 +0 -2.44958222 +0 H(HETATM 2569 1H HOH A2012) 8.21596463 +0 -25.06381988 +0 -2.26058180 +0 H(HETATM 2570 2H HOH A2012) 9.37620380 +0 -26.01231535 +0 -2.53305383 +0 O(HETATM 2571 O HOH A2013) 1.78846358 +0 -28.95964640 +0 -4.69375626 +0 H(HETATM 2572 1H HOH A2013) 2.58592112 +0 -28.48513484 +0 -4.97642540 +0 H(HETATM 2573 2H HOH A2013) 2.10814999 +0 -29.71162091 +0 -4.17167852 +0 O(HETATM 2574 O HOH A2014) -2.63271704 +0 -30.07134727 +0 -3.76399322 +0 H(HETATM 2575 1H HOH A2014) -2.31658416 +0 -30.89662385 +0 -3.37081525 +0 H(HETATM 2576 2H HOH A2014) -3.48171899 +0 -29.91567179 +0 -3.33481648 +0 O(HETATM 2577 O HOH A2015) -6.46347239 +0 -2.61288230 +0 -2.33501887 +0 H(HETATM 2578 1H HOH A2015) -5.62700323 +0 -2.67095066 +0 -2.79687493 +0 H(HETATM 2579 2H HOH A2015) -6.45513414 +0 -3.24752313 +0 -1.61039751 +0 O(HETATM 2580 O HOH A2016) -15.28991962 +0 -14.06434854 +0 -1.95121823 +0 H(HETATM 2581 1H HOH A2016) -15.60734707 +0 -13.58800607 +0 -2.72993384 +0 H(HETATM 2582 2H HOH A2016) -15.43647674 +0 -13.45188888 +0 -1.21713451 +0 O(HETATM 2583 O HOH A2017) -2.49827573 +0 -21.17876492 +0 -23.69284167 +0 H(HETATM 2584 1H HOH A2017) -2.41921942 +0 -20.49968926 +0 -23.00985418 +0 H(HETATM 2585 2H HOH A2017) -3.28517500 +0 -20.93110915 +0 -24.19360225 +0 O(HETATM 2586 O HOH A2018) -8.59002818 +1 -13.47960155 +1 -20.84943850 +1 H(HETATM 2587 1H HOH A2018) -7.99037252 +1 -12.74171068 +1 -21.00630811 +1 H(HETATM 2588 2H HOH A2018) -8.82637036 +1 -13.42505930 +1 -19.93042194 +1 O(HETATM 2589 O HOH A2019) -7.14119184 +1 -11.28921884 +1 -21.40929888 +1 H(HETATM 2590 1H HOH A2019) -6.94351326 +1 -10.61227879 +1 -20.72620387 +1 H(HETATM 2591 2H HOH A2019) -7.88241055 +1 -10.91050916 +1 -21.91149282 +1 O(HETATM 2592 O HOH A2020) -10.26375187 +0 -21.17437712 +0 -23.29498595 +0 H(HETATM 2593 1H HOH A2020) -10.17105012 +0 -20.81553565 +0 -22.41085977 +0 H(HETATM 2594 2H HOH A2020) -11.18692702 +0 -21.00679774 +0 -23.55191563 +0 O(HETATM 2595 O HOH A2021) -16.29436713 +0 -16.51259853 +0 -23.15731445 +0 H(HETATM 2596 1H HOH A2021) -16.18045355 +0 -16.87470705 +0 -22.26475114 +0 H(HETATM 2597 2H HOH A2021) -15.96940668 +0 -15.60919657 +0 -23.09082080 +0 O(HETATM 2598 O HOH A2022) 0.96797593 +0 -11.79421662 +0 2.07764400 +0 H(HETATM 2599 1H HOH A2022) 1.86283808 +0 -12.16864890 +0 2.00160078 +0 H(HETATM 2600 2H HOH A2022) 1.03463707 +0 -11.17620107 +0 2.82159674 +0 O(HETATM 2601 O HOH A2023) -7.46612812 +0 -15.18550726 +0 -27.29029450 +0 H(HETATM 2602 1H HOH A2023) -7.23069961 +0 -14.47224646 +0 -27.90277719 +0 H(HETATM 2603 2H HOH A2023) -8.42702877 +0 -15.10733468 +0 -27.20353282 +0 O(HETATM 2604 O HOH A2024) -1.39694351 +1 -11.50220732 +1 -18.22193785 +1 H(HETATM 2605 1H HOH A2024) -1.98292845 +1 -11.39877400 +1 -18.97852741 +1 H(HETATM 2606 2H HOH A2024) -1.56493750 +1 -10.76815776 +1 -17.61312798 +1 O(HETATM 2607 O HOH A2025) -4.06882497 +0 -2.52961778 +0 -3.58038414 +0 H(HETATM 2608 1H HOH A2025) -3.43621135 +0 -3.25022296 +0 -3.74946268 +0 H(HETATM 2609 2H HOH A2025) -3.54704722 +0 -1.85259158 +0 -3.12023469 +0 O(HETATM 2610 O HOH A2026) -0.41356530 +0 -14.72711151 +0 -18.19050724 +0 H(HETATM 2611 1H HOH A2026) -0.31109454 +0 -15.29854529 +0 -18.95582936 +0 H(HETATM 2612 2H HOH A2026) -1.30940583 +1 -14.38688097 +1 -18.21994901 +1 O(HETATM 2613 O HOH A2027) 5.27969873 +0 -18.79457703 +0 -22.38740107 +0 H(HETATM 2614 1H HOH A2027) 5.77643802 +0 -19.58719171 +0 -22.18529707 +0 H(HETATM 2615 2H HOH A2027) 4.35623895 +0 -18.95434644 +0 -22.13709280 +0 O(HETATM 2616 O HOH A2028) 6.53350053 +0 -16.45796193 +0 -22.78110771 +0 H(HETATM 2617 1H HOH A2028) 5.98904017 +0 -17.25789510 +0 -22.64880558 +0 H(HETATM 2618 2H HOH A2028) 7.31364252 +0 -16.61446698 +0 -22.24160829 +0 O(HETATM 2619 O HOH A2029) 3.52949431 +1 -14.07772563 +1 -16.14254424 +1 H(HETATM 2620 1H HOH A2029) 3.91207806 +1 -13.72624671 +1 -15.34740295 +1 H(HETATM 2621 2H HOH A2029) 3.16702612 +1 -14.94654736 +1 -15.95997629 +1 O(HETATM 2622 O HOH A2030) 6.26971971 +0 -23.95490216 +0 -18.31641709 +0 H(HETATM 2623 1H HOH A2030) 6.75807762 +0 -23.50522524 +0 -19.01270186 +0 H(HETATM 2624 2H HOH A2030) 6.91188462 +0 -24.13395601 +0 -17.62512480 +0 O(HETATM 2625 O HOH A2031) -3.05816571 +1 -13.39460034 +1 -17.28446684 +1 H(HETATM 2626 1H HOH A2031) -2.46296986 +1 -12.65929714 +1 -17.44272837 +1 H(HETATM 2627 2H HOH A2031) -3.33056049 +1 -13.33347996 +1 -16.36587309 +1 O(HETATM 2628 O HOH A2032) 3.70868817 +0 -13.25116020 +0 1.65774123 +0 H(HETATM 2629 1H HOH A2032) 4.12538988 +0 -12.76002397 +0 0.91765233 +0 H(HETATM 2630 2H HOH A2032) 3.74294891 +0 -14.16677391 +0 1.39755599 +0 O(HETATM 2631 O HOH A2033) -3.76206050 +1 -13.06514260 +1 -14.70131512 +1 H(HETATM 2632 1H HOH A2033) -3.40766380 +1 -13.63937564 +1 -14.00579188 +1 H(HETATM 2633 2H HOH A2033) -3.72097700 +1 -12.16117218 +1 -14.36398514 +1 O(HETATM 2634 O HOH A2034) -5.86732427 +1 -13.52707268 +1 -16.30281613 +1 H(HETATM 2635 1H HOH A2034) -5.21169131 +1 -13.33570537 +1 -15.61957534 +1 H(HETATM 2636 2H HOH A2034) -5.95572880 +1 -12.72038564 +1 -16.83861236 +1 O(HETATM 2637 O HOH A2035) -9.23668368 +1 -11.88010649 +1 -16.44805912 +1 H(HETATM 2638 1H HOH A2035) -8.67500248 +1 -11.12293956 +1 -16.82607542 +1 H(HETATM 2639 2H HOH A2035) -8.79522778 +1 -12.10123262 +1 -15.61755519 +1 O(HETATM 2640 O HOH A2036) -10.28567158 +1 -8.40942884 +1 -17.20641196 +1 H(HETATM 2641 1H HOH A2036) -9.42668794 +1 -8.55722936 +1 -17.61791729 +1 H(HETATM 2642 2H HOH A2036) -10.72419919 +1 -9.26096424 +1 -17.12261526 +1 O(HETATM 2643 O HOH A2037) -12.78147984 +0 -7.77096112 +0 -14.97674675 +0 H(HETATM 2644 1H HOH A2037) -12.07198209 +1 -8.21382772 +1 -15.44264942 +1 H(HETATM 2645 2H HOH A2037) -12.33199367 +0 -7.03599809 +0 -14.52251886 +0 O(HETATM 2646 O HOH A2038) -16.52216980 +0 -1.57199960 +0 -15.70115987 +0 H(HETATM 2647 1H HOH A2038) -15.69557509 +0 -1.75448976 +0 -16.16579584 +0 H(HETATM 2648 2H HOH A2038) -16.96114867 +0 -0.91616673 +0 -16.25562138 +0 O(HETATM 2649 O HOH A2039) -19.37012828 +0 -3.72955896 +0 -10.33657559 +0 H(HETATM 2650 1H HOH A2039) -18.98994160 +0 -2.88588039 +0 -10.60934471 +0 H(HETATM 2651 2H HOH A2039) -18.73348049 +0 -4.39124136 +0 -10.60629631 +0 O(HETATM 2652 O HOH A2040) -20.76316105 +0 0.69351206 +0 -15.09805814 +0 H(HETATM 2653 1H HOH A2040) -19.98974627 +0 0.52309079 +0 -15.64933374 +0 H(HETATM 2654 2H HOH A2040) -20.50523188 +0 1.49521630 +0 -14.62080393 +0 O(HETATM 2655 O HOH A2041) -14.21158197 +0 4.31538841 +0 -15.70601427 +0 H(HETATM 2656 1H HOH A2041) -15.05696505 +0 3.85837155 +0 -15.75501050 +0 H(HETATM 2657 2H HOH A2041) -14.37801748 +0 5.06185699 +0 -15.11816627 +0 O(HETATM 2658 O HOH A2042) -16.37878850 +0 -3.92538600 +0 -4.32039591 +0 H(HETATM 2659 1H HOH A2042) -16.19527674 +0 -4.28450846 +0 -3.44569809 +0 H(HETATM 2660 2H HOH A2042) -17.31961566 +0 -3.75434711 +0 -4.35133443 +0 O(HETATM 2661 O HOH A2043) -12.69543662 +0 -4.12942708 +0 -0.76189892 +0 H(HETATM 2662 1H HOH A2043) -12.79884440 +0 -5.08077148 +0 -0.66041033 +0 H(HETATM 2663 2H HOH A2043) -13.38678095 +0 -3.74924691 +0 -0.19403835 +0 O(HETATM 2664 O HOH A2044) -9.40671592 +0 -2.28785628 +0 -2.66523902 +0 H(HETATM 2665 1H HOH A2044) -8.44675821 +0 -2.27286419 +0 -2.50747870 +0 H(HETATM 2666 2H HOH A2044) -9.79972882 +0 -2.39755818 +0 -1.79036301 +0 O(HETATM 2667 O HOH A2045) 13.89856835 +0 -9.11843118 +0 -19.93850267 +0 H(HETATM 2668 1H HOH A2045) 13.70308331 +0 -9.94711443 +0 -19.48863285 +0 H(HETATM 2669 2H HOH A2045) 14.71123232 +0 -8.78722070 +0 -19.54324348 +0 O(HETATM 2670 O HOH A2046) -6.76398704 +0 -4.26110078 +0 -0.22845585 +0 H(HETATM 2671 1H HOH A2046) -7.60150257 +0 -4.74131989 +0 -0.05111125 +0 H(HETATM 2672 2H HOH A2046) -6.12220722 +0 -4.82312938 +0 0.24101936 +0 O(HETATM 2673 O HOH A2047) -5.58563296 +0 -6.02233525 +0 1.39743511 +0 H(HETATM 2674 1H HOH A2047) -4.77748976 +0 -5.75751939 +0 1.84521386 +0 H(HETATM 2675 2H HOH A2047) -5.61749424 +0 -6.97601139 +0 1.44713092 +0 O(HETATM 2676 O HOH A2048) -8.72001305 +0 -9.06269701 +0 2.82299719 +0 H(HETATM 2677 1H HOH A2048) -8.93552391 +0 -8.40703741 +0 2.12342233 +0 H(HETATM 2678 2H HOH A2048) -9.34173675 +0 -8.90231366 +0 3.53426552 +0 O(HETATM 2679 O HOH A2049) -15.56191911 +0 -9.48864844 +0 -5.10215090 +0 H(HETATM 2680 1H HOH A2049) -14.74966108 +0 -9.27757160 +0 -5.57493468 +0 H(HETATM 2681 2H HOH A2049) -15.64529051 +0 -8.81122680 +0 -4.43281205 +0 O(HETATM 2682 O HOH A2050) 10.79301589 +0 -19.01558958 +0 -1.01224684 +0 H(HETATM 2683 1H HOH A2050) 10.07227075 +0 -18.44325215 +0 -0.70012463 +0 H(HETATM 2684 2H HOH A2050) 10.38012350 +0 -19.86916682 +0 -1.14282791 +0 O(HETATM 2685 O HOH A2051) 12.56799594 +0 -16.53299816 +0 -7.09536094 +0 H(HETATM 2686 1H HOH A2051) 12.99397300 +0 -16.23786184 +0 -6.27042772 +0 H(HETATM 2687 2H HOH A2051) 11.87485050 +0 -15.90036501 +0 -7.24379718 +0 O(HETATM 2688 O HOH A2052) -11.99868254 +0 -15.08942299 +0 -4.64951665 +0 H(HETATM 2689 1H HOH A2052) -12.00426274 +0 -15.99986366 +0 -4.96855209 +0 H(HETATM 2690 2H HOH A2052) -12.11266954 +0 -14.52179183 +0 -5.41548152 +0 O(HETATM 2691 O HOH A2053) -12.64504589 +0 -14.48151810 +0 -2.11555720 +0 H(HETATM 2692 1H HOH A2053) -12.44711617 +0 -14.64625564 +0 -3.04501200 +0 H(HETATM 2693 2H HOH A2053) -13.60568331 +0 -14.39240198 +0 -2.04945182 +0 O(HETATM 2694 O HOH A2054) 7.55425991 +0 2.98375046 +0 -9.42640783 +0 H(HETATM 2695 1H HOH A2054) 8.33593871 +0 2.41868012 +0 -9.38868538 +0 H(HETATM 2696 2H HOH A2054) 7.51781316 +0 3.43815353 +0 -8.57564384 +0 O(HETATM 2697 O HOH A2055) -14.16464310 +0 -10.81278607 +0 -15.76177382 +0 H(HETATM 2698 1H HOH A2055) -13.35832140 +0 -11.06058916 +0 -16.25364260 +0 H(HETATM 2699 2H HOH A2055) -13.98903008 +0 -9.92151569 +0 -15.44066104 +0 O(HETATM 2700 O HOH A2056) -11.61152809 +1 -10.67382263 +1 -16.65522619 +1 H(HETATM 2701 1H HOH A2056) -10.82049404 +1 -11.25986839 +1 -16.65722555 +1 H(HETATM 2702 2H HOH A2056) -11.68018653 +1 -10.48051614 +1 -15.68573007 +1 O(HETATM 2703 O HOH A2057) -12.09410988 +0 -13.02805298 +0 -15.65122681 +0 H(HETATM 2704 1H HOH A2057) -11.54475055 +0 -13.50990002 +0 -16.31001292 +0 H(HETATM 2705 2H HOH A2057) -12.72852905 +0 -13.70078892 +0 -15.35885474 +0 O(HETATM 2706 O HOH A2058) 18.42171938 +0 -2.27256191 +0 -20.22841302 +0 H(HETATM 2707 1H HOH A2058) 17.74587489 +0 -2.87236614 +0 -20.57594109 +0 H(HETATM 2708 2H HOH A2058) 18.47535638 +0 -2.50502854 +0 -19.28636123 +0 O(HETATM 2709 O HOH A2059) -15.16104926 +0 -19.77747602 +0 -11.78614310 +0 H(HETATM 2710 1H HOH A2059) -14.61718822 +0 -19.65486779 +0 -12.56607997 +0 H(HETATM 2711 2H HOH A2059) -14.67281771 +0 -19.33331430 +0 -11.09038395 +0 O(HETATM 2712 O HOH A2060) 7.06530554 +0 5.27354185 +0 -13.75980226 +0 H(HETATM 2713 1H HOH A2060) 7.78102318 +0 4.99534667 +0 -13.17078522 +0 H(HETATM 2714 2H HOH A2060) 6.82354728 +0 4.47186161 +0 -14.22969255 +0 O(HETATM 2715 O HOH A2061) -17.96678510 +0 -13.05140723 +0 -11.46851705 +0 H(HETATM 2716 1H HOH A2061) -17.27540020 +0 -12.62077773 +0 -11.99005430 +0 H(HETATM 2717 2H HOH A2061) -17.49673737 +0 -13.60770695 +0 -10.85099652 +0 O(HETATM 2718 O HOH A2062) -12.34203673 +0 -21.97112499 +0 -12.50719756 +0 H(HETATM 2719 1H HOH A2062) -11.48799213 +0 -22.35460637 +0 -12.73080845 +0 H(HETATM 2720 2H HOH A2062) -12.16003087 +0 -21.21611322 +0 -11.95512868 +0 O(HETATM 2721 O HOH A2063) -7.61688585 +0 -22.01938627 +0 -12.48160085 +0 H(HETATM 2722 1H HOH A2063) -8.28780713 +0 -22.70491138 +0 -12.43756889 +0 H(HETATM 2723 2H HOH A2063) -8.10061686 +0 -21.25029229 +0 -12.77486836 +0 O(HETATM 2724 O HOH A2064) -12.11764101 +0 -23.64915555 +0 -7.12465676 +0 H(HETATM 2725 1H HOH A2064) -11.59082532 +0 -24.42044132 +0 -6.90659971 +0 H(HETATM 2726 2H HOH A2064) -11.62787193 +0 -23.17632181 +0 -7.79390955 +0 O(HETATM 2727 O HOH A2065) -13.98471444 +0 -23.33481190 +0 -4.53986402 +0 H(HETATM 2728 1H HOH A2065) -13.48523718 +0 -22.90756256 +0 -5.25300933 +0 H(HETATM 2729 2H HOH A2065) -14.08019917 +0 -22.66159129 +0 -3.85182508 +0 O(HETATM 2730 O HOH A2066) -14.43007345 +0 -21.69299788 +0 -2.45648145 +0 H(HETATM 2731 1H HOH A2066) -13.60244233 +0 -22.02404700 +0 -2.07456398 +0 H(HETATM 2732 2H HOH A2066) -14.29781695 +0 -20.72988585 +0 -2.43191825 +0 O(HETATM 2733 O HOH A2067) -0.81280380 +0 -13.73908236 +0 2.52307895 +0 H(HETATM 2734 1H HOH A2067) -0.18016735 +0 -12.97427733 +0 2.49275982 +0 H(HETATM 2735 2H HOH A2067) -0.23271286 +0 -14.49572557 +0 2.37051659 +0 O(HETATM 2736 O HOH A2068) 0.07292499 +0 -4.05261177 +0 2.45932802 +0 H(HETATM 2737 1H HOH A2068) 0.52084378 +0 -3.23327500 +0 2.22713984 +0 H(HETATM 2738 2H HOH A2068) -0.57036842 +0 -3.83976011 +0 3.12116434 +0 O(HETATM 2739 O HOH A2069) -0.95715652 +0 0.14557080 +0 1.09416073 +0 H(HETATM 2740 1H HOH A2069) -0.50027373 +0 0.41212381 +0 0.26663444 +0 H(HETATM 2741 2H HOH A2069) -0.38159680 +0 -0.49632168 +0 1.49594762 +0 O(HETATM 2742 O HOH A2070) -1.73862036 +0 -4.31400908 +0 -4.12829938 +0 H(HETATM 2743 1H HOH A2070) -0.91188647 +0 -3.97661474 +0 -4.48033433 +0 H(HETATM 2744 2H HOH A2070) -1.60599593 +0 -5.26757653 +0 -4.12093754 +0 O(HETATM 2745 O HOH A2071) -3.16479465 +0 2.97428479 +0 -7.83516804 +0 H(HETATM 2746 1H HOH A2071) -3.00319866 +0 2.73155969 +0 -8.78422104 +0 H(HETATM 2747 2H HOH A2071) -3.25516743 +0 3.92920039 +0 -7.86094593 +0 O(HETATM 2748 O HOH A2072) 6.95107840 +0 5.55922353 +0 -25.44234975 +0 H(HETATM 2749 1H HOH A2072) 7.80342383 +0 5.38526678 +0 -25.87081415 +0 H(HETATM 2750 2H HOH A2072) 6.82825582 +0 6.51224458 +0 -25.47295672 +0 O(HETATM 2751 O HOH A2073) 0.94726482 +0 1.98771148 +0 -22.15588421 +0 H(HETATM 2752 1H HOH A2073) 0.74698815 +0 2.41680612 +0 -22.99322622 +0 H(HETATM 2753 2H HOH A2073) 0.11299308 +0 1.94201605 +0 -21.69153064 +0 O(HETATM 2754 O HOH A2074) 3.97747344 +0 -2.10453132 +0 -27.52961120 +0 H(HETATM 2755 1H HOH A2074) 3.84579025 +0 -1.14843684 +0 -27.46867289 +0 H(HETATM 2756 2H HOH A2074) 3.10029457 +0 -2.48239581 +0 -27.45119962 +0 O(HETATM 2757 O HOH A2075) 0.61022645 +0 4.75525598 +0 -30.76480980 +0 H(HETATM 2758 1H HOH A2075) 0.33605565 +0 4.26644935 +0 -29.97582741 +0 H(HETATM 2759 2H HOH A2075) 0.84802971 +0 5.63252030 +0 -30.45246725 +0 O(HETATM 2760 O HOH A2076) -3.45646011 +0 -0.02605548 +0 -26.41547827 +0 H(HETATM 2761 1H HOH A2076) -3.96096169 +0 -0.83690158 +0 -26.28900385 +0 H(HETATM 2762 2H HOH A2076) -3.58639787 +0 0.47267441 +0 -25.59981000 +0 O(HETATM 2763 O HOH A2077) -3.01474555 +0 0.03955326 +0 -22.01175962 +0 H(HETATM 2764 1H HOH A2077) -2.44738325 +0 0.73475563 +0 -21.63253012 +0 H(HETATM 2765 2H HOH A2077) -2.41318477 +0 -0.57944262 +0 -22.44163037 +0 O(HETATM 2766 O HOH A2078) -4.02729597 +0 1.65475688 +0 -23.90870148 +0 H(HETATM 2767 1H HOH A2078) -3.78591997 +0 0.99718375 +0 -23.23525970 +0 H(HETATM 2768 2H HOH A2078) -4.99034121 +0 1.66885221 +0 -23.94164827 +0 O(HETATM 2769 O HOH A2079) 4.62444330 +0 -11.99758593 +0 -0.51876121 +0 H(HETATM 2770 1H HOH A2079) 5.46831445 +0 -12.33330066 +0 -0.86207894 +0 H(HETATM 2771 2H HOH A2079) 4.82201988 +0 -11.06597493 +0 -0.30783660 +0 O(HETATM 2772 O HOH A2080) -10.23112210 +0 -19.68035041 +0 4.73596978 +0 H(HETATM 2773 1H HOH A2080) -9.50944511 +0 -19.67579361 +0 4.10195133 +0 H(HETATM 2774 2H HOH A2080) -9.82169515 +0 -19.49223778 +0 5.58930394 +0 O(HETATM 2775 O HOH A2081) -6.77011322 +0 -25.93450110 +0 -2.61981282 +0 H(HETATM 2776 1H HOH A2081) -7.68435023 +0 -25.64669742 +0 -2.48630465 +0 H(HETATM 2777 2H HOH A2081) -6.26364402 +0 -25.44060411 +0 -1.97342937 +0 O(HETATM 2778 O HOH A2082) -13.35374722 +0 -25.94010944 +0 -4.36891196 +0 H(HETATM 2779 1H HOH A2082) -13.55125564 +0 -24.99291831 +0 -4.45239879 +0 H(HETATM 2780 2H HOH A2082) -13.89628654 +0 -26.25853934 +0 -3.64280034 +0 O(HETATM 2781 O HOH A2083) -14.43339137 +0 -23.63070044 +0 -14.40445996 +0 H(HETATM 2782 1H HOH A2083) -13.55061655 +0 -23.94737641 +0 -14.63044303 +0 H(HETATM 2783 2H HOH A2083) -14.27478530 +0 -22.99554559 +0 -13.70051612 +0 O(HETATM 2784 O HOH A2084) -6.32392554 +0 -27.12867164 +0 -20.84602387 +0 H(HETATM 2785 1H HOH A2084) -5.60199369 +0 -26.50531760 +0 -20.87778287 +0 H(HETATM 2786 2H HOH A2084) -6.99050576 +0 -26.72128899 +0 -20.23468976 +0 O(HETATM 2787 O HOH A2085) -12.22195173 +0 -17.63734788 +0 -17.41915642 +0 H(HETATM 2788 1H HOH A2085) -12.04067821 +0 -16.70854308 +0 -17.24029549 +0 H(HETATM 2789 2H HOH A2085) -12.94992511 +0 -17.88399141 +0 -16.84263381 +0 O(HETATM 2790 O HOH A2086) -14.61271654 +0 -20.26835488 +0 -17.09309571 +0 H(HETATM 2791 1H HOH A2086) -15.43452468 +0 -20.44218280 +0 -17.58913054 +0 H(HETATM 2792 2H HOH A2086) -14.82788423 +0 -20.36791998 +0 -16.16652327 +0 O(HETATM 2793 O HOH A2087) -16.82159774 +0 -20.71598467 +0 -18.54950921 +0 H(HETATM 2794 1H HOH A2087) -16.94380609 +0 -19.88838088 +0 -19.03620830 +0 H(HETATM 2795 2H HOH A2087) -17.62505176 +0 -20.79049533 +0 -18.00930100 +0 O(HETATM 2796 O HOH A2088) -15.90189177 +0 -17.51257779 +0 -20.69956861 +0 H(HETATM 2797 1H HOH A2088) -15.66660193 +0 -18.43652070 +0 -20.79467214 +0 H(HETATM 2798 2H HOH A2088) -15.15845501 +0 -17.09711106 +0 -20.24597192 +0 O(HETATM 2799 O HOH A2089) -12.56620260 +1 -11.87030717 +1 -18.87051370 +1 H(HETATM 2800 1H HOH A2089) -11.73679443 +1 -11.91911323 +1 -19.35246789 +1 H(HETATM 2801 2H HOH A2089) -12.33592468 +1 -11.47371599 +1 -18.02694183 +1 O(HETATM 2802 O HOH A2090) -3.91568489 +0 -24.87730165 +0 -21.21595845 +0 H(HETATM 2803 1H HOH A2090) -3.13136516 +0 -24.71317291 +0 -21.78852017 +0 H(HETATM 2804 2H HOH A2090) -4.19438846 +0 -24.00869913 +0 -20.93340957 +0 O(HETATM 2805 O HOH A2091) -2.82441637 +0 -28.95205382 +0 -15.81225993 +0 H(HETATM 2806 1H HOH A2091) -3.25187190 +0 -28.50530385 +0 -15.07598943 +0 H(HETATM 2807 2H HOH A2091) -2.38841024 +0 -28.26331382 +0 -16.34910408 +0 O(HETATM 2808 O HOH A2092) -1.60823033 +0 -24.32273319 +0 -22.44472914 +0 H(HETATM 2809 1H HOH A2092) -1.37196787 +0 -24.94345455 +0 -23.15453272 +0 H(HETATM 2810 2H HOH A2092) -1.64223445 +0 -23.45938230 +0 -22.87992739 +0 O(HETATM 2811 O HOH A2093) -4.21847453 +0 -28.11499310 +0 -13.67530004 +0 H(HETATM 2812 1H HOH A2093) -3.61307441 +0 -28.25866981 +0 -12.93049355 +0 H(HETATM 2813 2H HOH A2093) -4.40185226 +0 -27.16395219 +0 -13.58686680 +0 O(HETATM 2814 O HOH A2094) -4.70979131 +0 -27.76102358 +0 -9.81960773 +0 H(HETATM 2815 1H HOH A2094) -4.24017612 +0 -27.16479714 +0 -10.41382056 +0 H(HETATM 2816 2H HOH A2094) -5.57754746 +0 -27.38002827 +0 -9.68616891 +0 O(HETATM 2817 O HOH A2095) 4.81613100 +0 -29.00653346 +0 -7.61729076 +0 H(HETATM 2818 1H HOH A2095) 4.37473077 +0 -28.44894258 +0 -6.96209876 +0 H(HETATM 2819 2H HOH A2095) 5.54036405 +0 -28.46760174 +0 -7.94255520 +0 O(HETATM 2820 O HOH A2096) 7.15659969 +0 -27.49070947 +0 -8.92680330 +0 H(HETATM 2821 1H HOH A2096) 8.06624004 +0 -27.85255116 +0 -8.92517464 +0 H(HETATM 2822 2H HOH A2096) 7.00463294 +0 -27.23512353 +0 -9.83968484 +0 O(HETATM 2823 O HOH A2097) 3.99846027 +0 -27.64357321 +0 -5.45651350 +0 H(HETATM 2824 1H HOH A2097) 4.75653100 +0 -27.80171065 +0 -4.83890484 +0 H(HETATM 2825 2H HOH A2097) 4.00148736 +0 -26.69783751 +0 -5.60570232 +0 O(HETATM 2826 O HOH A2098) 12.16669615 +0 -20.72330003 +0 -8.96459314 +0 H(HETATM 2827 1H HOH A2098) 13.10505193 +0 -20.93659929 +0 -8.93657876 +0 H(HETATM 2828 2H HOH A2098) 11.92363987 +0 -20.50655817 +0 -8.05855705 +0 O(HETATM 2829 O HOH A2099) 8.59720609 +0 -25.50573398 +0 -13.17444919 +0 H(HETATM 2830 1H HOH A2099) 8.69160024 +0 -24.78069071 +0 -12.54359526 +0 H(HETATM 2831 2H HOH A2099) 8.18972693 +0 -26.20490917 +0 -12.66345870 +0 O(HETATM 2832 O HOH A2100) 12.20589872 +0 -20.75632251 +0 -16.07361359 +0 H(HETATM 2833 1H HOH A2100) 13.15601569 +0 -20.58095165 +0 -16.03450622 +0 H(HETATM 2834 2H HOH A2100) 11.93275535 +0 -20.86742428 +0 -15.16088247 +0 O(HETATM 2835 O HOH A2101) 9.87702099 +0 -14.20326761 +0 -16.39600333 +0 H(HETATM 2836 1H HOH A2101) 9.72716925 +0 -15.09323875 +0 -16.74349050 +0 H(HETATM 2837 2H HOH A2101) 9.14800911 +0 -13.64668209 +0 -16.66082412 +0 O(HETATM 2838 O HOH A2102) 9.88475325 +0 -14.64578594 +0 -20.06659483 +0 H(HETATM 2839 1H HOH A2102) 9.86229871 +0 -15.43379693 +0 -19.51254645 +0 H(HETATM 2840 2H HOH A2102) 8.99849523 +0 -14.29175963 +0 -19.96460351 +0 O(HETATM 2841 O HOH A2103) 13.28941350 +0 -11.36907950 +0 -17.91748149 +0 H(HETATM 2842 1H HOH A2103) 12.53308959 +0 -10.97179682 +0 -17.45671547 +0 H(HETATM 2843 2H HOH A2103) 14.06504516 +0 -11.19068544 +0 -17.36909750 +0 O(HETATM 2844 O HOH A2104) 12.41709171 +0 -13.79658410 +0 -17.15541818 +0 H(HETATM 2845 1H HOH A2104) 12.62723270 +0 -12.91294103 +0 -17.47265811 +0 H(HETATM 2846 2H HOH A2104) 11.46367482 +0 -13.84619979 +0 -16.96057126 +0 O(HETATM 2847 O HOH A2105) 14.41966843 +0 -14.26013917 +0 -10.67566862 +0 H(HETATM 2848 1H HOH A2105) 13.94100645 +0 -13.43267153 +0 -10.83113036 +0 H(HETATM 2849 2H HOH A2105) 13.95111023 +0 -14.69790470 +0 -9.96928982 +0 O(HETATM 2850 O HOH A2106) 15.10928583 +0 -8.29746468 +0 -8.51990268 +0 H(HETATM 2851 1H HOH A2106) 14.21503743 +0 -8.58617718 +0 -8.75812608 +0 H(HETATM 2852 2H HOH A2106) 15.01011620 +0 -7.92753558 +0 -7.64375985 +0 O(HETATM 2853 O HOH A2107) 11.16011563 +0 -15.72874183 +0 1.93087564 +0 H(HETATM 2854 1H HOH A2107) 10.55128886 +0 -15.52042435 +0 1.21018129 +0 H(HETATM 2855 2H HOH A2107) 10.60234037 +0 -15.99391235 +0 2.66426881 +0 O(HETATM 2856 O HOH A2108) 8.67426170 +0 -17.67784461 +0 -0.04819324 +0 H(HETATM 2857 1H HOH A2108) 8.71042318 +0 -16.72197542 +0 -0.04264950 +0 H(HETATM 2858 2H HOH A2108) 7.80492205 +0 -18.00449101 +0 0.19250932 +0 O(HETATM 2859 O HOH A2109) 12.54421417 +0 -12.90876557 +0 3.43486186 +0 H(HETATM 2860 1H HOH A2109) 11.93142877 +0 -12.29050229 +0 3.00250540 +0 H(HETATM 2861 2H HOH A2109) 12.35556803 +0 -13.74855859 +0 3.00934665 +0 O(HETATM 2862 O HOH A2110) 16.14047522 +0 -9.82869368 +0 -3.64774180 +0 H(HETATM 2863 1H HOH A2110) 15.46056641 +0 -10.23747483 +0 -3.08259834 +0 H(HETATM 2864 2H HOH A2110) 16.22639490 +0 -8.93578014 +0 -3.31427055 +0 O(HETATM 2865 O HOH A2111) 14.73210666 +0 -9.91833464 +0 0.48831849 +0 H(HETATM 2866 1H HOH A2111) 14.99775694 +0 -9.00208950 +0 0.37747108 +0 H(HETATM 2867 2H HOH A2111) 14.48136071 +0 -10.24927455 +0 -0.38162902 +0 O(HETATM 2868 O HOH A2112) 13.65576201 +0 -15.60435236 +0 -4.82287072 +0 H(HETATM 2869 1H HOH A2112) 14.58970511 +0 -15.84801411 +0 -4.94510267 +0 H(HETATM 2870 2H HOH A2112) 13.36239491 +0 -16.18272309 +0 -4.10326801 +0 O(HETATM 2871 O HOH A2113) 4.66821439 +0 -8.22951270 +0 2.23917881 +0 H(HETATM 2872 1H HOH A2113) 3.91629592 +0 -7.63229896 +0 2.20253930 +0 H(HETATM 2873 2H HOH A2113) 5.44573614 +0 -7.67812378 +0 2.38646496 +0 O(HETATM 2874 O HOH A2114) 5.34493004 +0 -9.46710119 +0 -0.03929604 +0 H(HETATM 2875 1H HOH A2114) 5.04146590 +0 -9.04669373 +0 0.77794784 +0 H(HETATM 2876 2H HOH A2114) 6.22964634 +0 -9.14900952 +0 -0.21230720 +0 O(HETATM 2877 O HOH A2115) 9.24536423 +0 -3.99226173 +0 1.78617786 +0 H(HETATM 2878 1H HOH A2115) 9.13863343 +0 -3.47532401 +0 0.97452522 +0 H(HETATM 2879 2H HOH A2115) 8.90370510 +0 -3.39543419 +0 2.46567047 +0 O(HETATM 2880 O HOH A2116) 1.37985611 +0 -1.70967113 +0 2.40079449 +0 H(HETATM 2881 1H HOH A2116) 0.90119218 +0 -1.23729046 +0 3.09805493 +0 H(HETATM 2882 2H HOH A2116) 2.09304946 +0 -2.17616105 +0 2.89848930 +0 O(HETATM 2883 O HOH A2117) 9.74155868 +0 1.44893145 +0 -9.13727256 +0 H(HETATM 2884 1H HOH A2117) 9.53343435 +0 0.58697155 +0 -8.73232138 +0 H(HETATM 2885 2H HOH A2117) 10.22607974 +0 1.94024232 +0 -8.46179193 +0 O(HETATM 2886 O HOH A2118) 5.35229822 +0 1.45231199 +0 -9.55162836 +0 H(HETATM 2887 1H HOH A2118) 5.48688418 +0 0.69593241 +0 -10.11366332 +0 H(HETATM 2888 2H HOH A2118) 6.16868122 +0 1.95569213 +0 -9.56683035 +0 O(HETATM 2889 O HOH A2119) 9.96110368 +0 4.97978409 +0 -19.38812169 +0 H(HETATM 2890 1H HOH A2119) 10.68275248 +0 4.49568001 +0 -19.83194456 +0 H(HETATM 2891 2H HOH A2119) 9.24614411 +0 4.37254833 +0 -19.24887570 +0 O(HETATM 2892 O HOH A2120) 13.07191721 +0 3.52484486 +0 -23.56385434 +0 H(HETATM 2893 1H HOH A2120) 13.30359713 +0 3.14547268 +0 -22.67093189 +0 H(HETATM 2894 2H HOH A2120) 13.62742192 +0 4.30631641 +0 -23.63533891 +0 O(HETATM 2895 O HOH A2121) 9.26207207 +0 4.92583760 +0 -26.64979832 +0 H(HETATM 2896 1H HOH A2121) 9.68358470 +0 5.70778661 +0 -27.05068671 +0 H(HETATM 2897 2H HOH A2121) 8.95755519 +0 4.41771739 +0 -27.41617173 +0 O(HETATM 2898 O HOH A2122) 8.54325414 +0 -7.83889059 +0 -27.86755534 +0 H(HETATM 2899 1H HOH A2122) 8.70780801 +0 -7.90505426 +0 -28.81375760 +0 H(HETATM 2900 2H HOH A2122) 8.31250722 +0 -6.91520749 +0 -27.70064469 +0 O(HETATM 2901 O HOH A2123) 5.44466478 +0 -8.71212178 +0 -29.10569420 +0 H(HETATM 2902 1H HOH A2123) 6.39081099 +0 -8.58579837 +0 -29.23427671 +0 H(HETATM 2903 2H HOH A2123) 5.01974240 +0 -8.14339218 +0 -29.76400414 +0 O(HETATM 2904 O HOH A2124) 11.37000218 +0 -12.02671942 +0 -23.50247837 +0 H(HETATM 2905 1H HOH A2124) 11.24452210 +0 -11.06966117 +0 -23.55354969 +0 H(HETATM 2906 2H HOH A2124) 10.51051823 +0 -12.38485076 +0 -23.29026305 +0 O(HETATM 2907 O HOH A2125) 13.32765258 +0 -8.08003779 +0 -22.34644030 +0 H(HETATM 2908 1H HOH A2125) 12.65888568 +0 -8.65887677 +0 -22.72503578 +0 H(HETATM 2909 2H HOH A2125) 13.51830291 +0 -8.44040071 +0 -21.46569865 +0 O(HETATM 2910 O HOH A2126) 17.30305126 +0 0.16218363 +0 -20.36675142 +0 H(HETATM 2911 1H HOH A2126) 16.39254307 +0 0.03079470 +0 -20.63091798 +0 H(HETATM 2912 2H HOH A2126) 17.69108204 +0 -0.72317731 +0 -20.31707504 +0 O(HETATM 2913 O HOH A2127) 13.09428987 +0 6.23089958 +0 -21.14844007 +0 H(HETATM 2914 1H HOH A2127) 12.74682416 +0 5.31984829 +0 -21.00107621 +0 H(HETATM 2915 2H HOH A2127) 12.32734410 +0 6.79579982 +0 -21.04910346 +0 O(HETATM 2916 O HOH A2128) 18.88353146 +0 -5.25124725 +0 -14.63271827 +0 H(HETATM 2917 1H HOH A2128) 18.14116591 +0 -4.89118043 +0 -14.14061500 +0 H(HETATM 2918 2H HOH A2128) 19.12348292 +0 -6.05358893 +0 -14.15853419 +0 O(HETATM 2919 O HOH A2129) 9.37302556 +0 4.41078581 +0 -11.97513038 +0 H(HETATM 2920 1H HOH A2129) 9.91988825 +0 3.60381983 +0 -11.99957930 +0 H(HETATM 2921 2H HOH A2129) 8.88505998 +0 4.31210458 +0 -11.15009982 +0 O(HETATM 2922 O HOH A2130) 14.44888311 +0 -4.05487270 +0 -5.91998172 +0 H(HETATM 2923 1H HOH A2130) 14.44327606 +0 -4.02821473 +0 -4.96009278 +0 H(HETATM 2924 2H HOH A2130) 14.17292576 +0 -3.17742809 +0 -6.19559098 +0 O(HETATM 2925 O HOH A2131) 15.66871816 +0 -7.40051882 +0 0.47461113 +0 H(HETATM 2926 1H HOH A2131) 15.10347859 +0 -6.83526195 +0 -0.08010847 +0 H(HETATM 2927 2H HOH A2131) 15.59852694 +0 -7.03881772 +0 1.36311253 +0 O(HETATM 2928 O HOH A2132) 7.02311521 +0 3.27742531 +0 1.34902213 +0 H(HETATM 2929 1H HOH A2132) 6.94238141 +0 3.53695014 +0 0.42218246 +0 H(HETATM 2930 2H HOH A2132) 7.84233030 +0 3.70908600 +0 1.64263639 +0 O(HETATM 2931 O HOH A2133) -2.40801334 +0 0.20901842 +0 -2.49530533 +0 H(HETATM 2932 1H HOH A2133) -1.46841019 +0 0.40617036 +0 -2.33456039 +0 H(HETATM 2933 2H HOH A2133) -2.79483547 +0 0.22850610 +0 -1.61606737 +0 O(HETATM 2934 O HOH A2134) 3.02951267 +1 -6.66480787 +1 -18.80255322 +1 H(HETATM 2935 1H HOH A2134) 3.47083944 +1 -7.37064360 +1 -18.30155576 +1 H(HETATM 2936 2H HOH A2134) 3.39703142 +1 -5.84613185 +1 -18.46820876 +1 "[8OG]1157:A.C6" "[8OG]1157:A.N1" User-supplied pi bonds ********************** * * * JOB ENDED NORMALLY * * * ********************** TOTAL JOB TIME: 52841.95 SECONDS == MOPAC DONE ==