------------------------------------------------------- PBSA VERSION 2009 UC Irvine ------------------------------------------------------- | Run on 03/17/2011 at 18:28:47 [-O]verwriting output File Assignments: | MDIN: min.in | MDOUT: mdout.sb |INPCRD: inpcrd | PARM: prmtop | Here is the input file: test of pbsa &cntrl ntx=1, imin=1, ipb=1, inp=0, / &pb npbverb=1, istrng=0, epsout=80.0, epsin=1.0, space=0.5, sprob=1.6, radiopt=0, fillratio=2, fscale=4, accept=1.0d-3, eneopt=1, cutnb=9d0, maxarcdot=7000, ngrdblkx=145, ngrdblky=145, ngrdblkz=145 / PB Info in pb_read(): npopt has been overwritten with inp -------------------------------------------------------------------------------- 1. RESOURCE USE: -------------------------------------------------------------------------------- | Flags: | New format PARM file being parsed. | Version = 1.000 Date = 11/15/04 Time = 15:13:17 NATOM = 3010 NTYPES = 14 NBONH = 1486 MBONA = 1559 NTHETH = 3362 MTHETA = 2115 NPHIH = 6127 MPHIA = 2961 NHPARM = 0 NPARM = 0 NNB = 16582 NRES = 194 NBONA = 1559 NTHETA = 2115 NPHIA = 2961 NUMBND = 41 NUMANG = 89 NPTRA = 30 NATYP = 28 NPHB = 0 IFBOX = 0 NMXRS = 24 IFCAP = 0 NEXTRA = 0 NCOPY = 0 | Memory Use Allocated | Real 111516 | Hollerith 18256 | Integer 143139 | Max Pairs 1 | Max Rstack 1 | Max Istack 1 | Total 1501 kbytes -------------------------------------------------------------------------------- 2. CONTROL DATA FOR THE RUN -------------------------------------------------------------------------------- General flags: imin = 1, nmropt = 0 Nature and format of input: ntx = 1, irest = 0, ntrx = 1 Nature and format of output: ntxo = 1, ntpr = 50, ntrx = 1, ntwr = 500 iwrap = 0, ntwx = 0, ntwv = 0, ntwe = 0 ioutfm = 0, ntwprt = 0, idecomp = 0, rbornstat= 0 Potential function: ntf = 1, ntb = 1, ipb = 1, nsnb = 25 ipol = 0, gbsa = 0, iesp = 0 dielc = 1.00000, cut = 8.00000, intdiel = 1.00000 Frozen or restrained atoms: ibelly = 0, ntr = 0 Energy minimization: maxcyc = 1, ncyc = 10, ntmin = 1 dx0 = 0.01000, drms = 0.00010 ======== Implicit Solvent Initialization ======== Max Nonbonded Pairs: 731430 4530050 no. of atoms processed in PB initialization: 3010 NUM RESI NAME TYPE CHARGE ATM CRG/H GRP CRG PB RADI NP RADI 1 SER N N3 0.184900 0.754300 0.889200 1.550000 1.550000 2 SER H1 H 0.189800 0.000000 0.000000 1.300000 1.300000 3 SER H2 H 0.189800 0.000000 0.000000 1.300000 1.300000 4 SER H3 H 0.189800 0.000000 0.000000 1.300000 1.300000 5 SER CA CT 0.056700 0.134900 1.819700 1.700000 1.700000 6 SER HA HP 0.078200 0.000000 0.000000 1.300000 1.300000 7 SER CB CT 0.259600 0.314200 0.201600 1.700000 1.700000 8 SER HB2 H1 0.027300 0.000000 0.000000 1.300000 1.300000 9 SER HB3 H1 0.027300 0.000000 0.000000 1.300000 1.300000 10 SER OG OH -0.671400 -0.247500 0.066700 1.500000 1.500000 11 SER HG HO 0.423900 0.000000 0.000000 0.800000 0.800000 12 SER C C 0.616300 0.616300 0.035200 1.700000 1.700000 13 SER O O -0.572200 -0.572200 0.044100 1.500000 1.500000 14 VAL N N -0.415700 -0.143800 0.481900 1.550000 1.550000 15 VAL H H 0.271900 0.000000 0.000000 1.300000 1.300000 16 VAL CA CT -0.087500 0.009400 0.731700 1.700000 1.700000 17 VAL HA H1 0.096900 0.000000 0.000000 1.300000 1.300000 18 VAL CB CT 0.298500 0.268800 0.114400 1.700000 1.700000 19 VAL HB HC -0.029700 0.000000 0.000000 1.300000 1.300000 20 VAL CG1 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 21 VAL HG11 HC 0.079100 0.000000 0.000000 1.300000 1.300000 22 VAL HG12 HC 0.079100 0.000000 0.000000 1.300000 1.300000 23 VAL HG13 HC 0.079100 0.000000 0.000000 1.300000 1.300000 24 VAL CG2 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 25 VAL HG21 HC 0.079100 0.000000 0.000000 1.300000 1.300000 26 VAL HG22 HC 0.079100 0.000000 0.000000 1.300000 1.300000 27 VAL HG23 HC 0.079100 0.000000 0.000000 1.300000 1.300000 28 VAL C C 0.597300 0.597300 -0.216000 1.700000 1.700000 29 VAL O O -0.567900 -0.567900 0.029400 1.500000 1.500000 30 PRO N N -0.254800 -0.254800 0.477400 1.550000 1.550000 31 PRO CD CT 0.019200 0.097400 -0.095900 1.700000 1.700000 32 PRO HD2 H1 0.039100 0.000000 0.000000 1.300000 1.300000 33 PRO HD3 H1 0.039100 0.000000 0.000000 1.300000 1.300000 34 PRO CG CT 0.018900 0.061500 0.202500 1.700000 1.700000 35 PRO HG2 HC 0.021300 0.000000 0.000000 1.300000 1.300000 36 PRO HG3 HC 0.021300 0.000000 0.000000 1.300000 1.300000 37 PRO CB CT -0.007000 0.043600 0.142600 1.700000 1.700000 38 PRO HB2 HC 0.025300 0.000000 0.000000 1.300000 1.300000 39 PRO HB3 HC 0.025300 0.000000 0.000000 1.300000 1.300000 40 PRO CA CT -0.026600 0.037500 0.415900 1.700000 1.700000 41 PRO HA H1 0.064100 0.000000 0.000000 1.300000 1.300000 42 PRO C C 0.589600 0.589600 -0.091500 1.700000 1.700000 43 PRO O O -0.574800 -0.574800 0.014800 1.500000 1.500000 44 SER N N -0.415700 -0.143800 0.505200 1.550000 1.550000 45 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 46 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 47 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 48 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 49 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 50 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 51 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 52 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 53 SER C C 0.597300 0.597300 -0.055000 1.700000 1.700000 54 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 55 GLN N N -0.415700 -0.143800 0.535400 1.550000 1.550000 56 GLN H H 0.271900 0.000000 0.000000 1.300000 1.300000 57 GLN CA CT -0.003100 0.081900 0.566000 1.700000 1.700000 58 GLN HA H1 0.085000 0.000000 0.000000 1.300000 1.300000 59 GLN CB CT -0.003600 0.030600 0.118400 1.700000 1.700000 60 GLN HB2 HC 0.017100 0.000000 0.000000 1.300000 1.300000 61 GLN HB3 HC 0.017100 0.000000 0.000000 1.300000 1.300000 62 GLN CG CT -0.064500 0.005900 0.731600 1.700000 1.700000 63 GLN HG2 HC 0.035200 0.000000 0.000000 1.300000 1.300000 64 GLN HG3 HC 0.035200 0.000000 0.000000 1.300000 1.300000 65 GLN CD C 0.695100 0.695100 0.001900 1.700000 1.700000 66 GLN OE1 O -0.608600 -0.608600 0.086500 1.500000 1.500000 67 GLN NE2 N -0.940700 -0.090500 0.604600 1.550000 1.550000 68 GLN HE21 H 0.425100 0.000000 0.000000 1.300000 1.300000 69 GLN HE22 H 0.425100 0.000000 0.000000 1.300000 1.300000 70 GLN C C 0.597300 0.597300 0.038100 1.700000 1.700000 71 GLN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 72 LYS N N -0.347900 -0.073200 0.426700 1.550000 1.550000 73 LYS H H 0.274700 0.000000 0.000000 1.300000 1.300000 74 LYS CA CT -0.240000 -0.097400 0.626500 1.700000 1.700000 75 LYS HA H1 0.142600 0.000000 0.000000 1.300000 1.300000 76 LYS CB CT -0.009400 0.063000 0.004900 1.700000 1.700000 77 LYS HB2 HC 0.036200 0.000000 0.000000 1.300000 1.300000 78 LYS HB3 HC 0.036200 0.000000 0.000000 1.300000 1.300000 79 LYS CG CT 0.018700 0.039300 0.178600 1.700000 1.700000 80 LYS HG2 HC 0.010300 0.000000 0.000000 1.300000 1.300000 81 LYS HG3 HC 0.010300 0.000000 0.000000 1.300000 1.300000 82 LYS CD CT -0.047900 0.076300 0.328300 1.700000 1.700000 83 LYS HD2 HC 0.062100 0.000000 0.000000 1.300000 1.300000 84 LYS HD3 HC 0.062100 0.000000 0.000000 1.300000 1.300000 85 LYS CE CT -0.014300 0.212700 0.923600 1.700000 1.700000 86 LYS HE2 HP 0.113500 0.000000 0.000000 1.300000 1.300000 87 LYS HE3 HP 0.113500 0.000000 0.000000 1.300000 1.300000 88 LYS NZ N3 -0.385400 0.634600 0.847300 1.550000 1.550000 89 LYS HZ1 H 0.340000 0.000000 0.000000 1.300000 1.300000 90 LYS HZ2 H 0.340000 0.000000 0.000000 1.300000 1.300000 91 LYS HZ3 H 0.340000 0.000000 0.000000 1.300000 1.300000 92 LYS C C 0.734100 0.734100 -0.096500 1.700000 1.700000 93 LYS O O -0.589400 -0.589400 0.144700 1.500000 1.500000 94 THR N N -0.415700 -0.143800 0.652100 1.550000 1.550000 95 THR H H 0.271900 0.000000 0.000000 1.300000 1.300000 96 THR CA CT -0.038900 0.061800 0.885000 1.700000 1.700000 97 THR HA H1 0.100700 0.000000 0.000000 1.300000 1.300000 98 THR CB CT 0.365400 0.369700 0.114400 1.700000 1.700000 99 THR HB H1 0.004300 0.000000 0.000000 1.300000 1.300000 100 THR CG2 CT -0.243800 -0.051200 0.318500 1.700000 1.700000 101 THR HG21 HC 0.064200 0.000000 0.000000 1.300000 1.300000 102 THR HG22 HC 0.064200 0.000000 0.000000 1.300000 1.300000 103 THR HG23 HC 0.064200 0.000000 0.000000 1.300000 1.300000 104 THR OG1 OH -0.676100 -0.265900 0.103800 1.500000 1.500000 105 THR HG1 HO 0.410200 0.000000 0.000000 0.800000 0.800000 106 THR C C 0.597300 0.597300 -0.052600 1.700000 1.700000 107 THR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 108 TYR N N -0.415700 -0.143800 0.539700 1.550000 1.550000 109 TYR H H 0.271900 0.000000 0.000000 1.300000 1.300000 110 TYR CA CT -0.001400 0.086200 0.583500 1.700000 1.700000 111 TYR HA H1 0.087600 0.000000 0.000000 1.300000 1.300000 112 TYR CB CT -0.015200 0.043800 0.128900 1.700000 1.700000 113 TYR HB2 HC 0.029500 0.000000 0.000000 1.300000 1.300000 114 TYR HB3 HC 0.029500 0.000000 0.000000 1.300000 1.300000 115 TYR CG CA -0.001100 -0.001100 0.001300 1.700000 1.700000 116 TYR CD1 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 117 TYR HD1 HA 0.169900 0.000000 0.000000 1.300000 1.300000 118 TYR CE1 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 119 TYR HE1 HA 0.165600 0.000000 0.000000 1.300000 1.300000 120 TYR CZ C 0.322600 0.322600 0.026900 1.700000 1.700000 121 TYR OH OH -0.557900 -0.158700 0.163900 1.500000 1.500000 122 TYR HH HO 0.399200 0.000000 0.000000 0.800000 0.800000 123 TYR CE2 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 124 TYR HE2 HA 0.165600 0.000000 0.000000 1.300000 1.300000 125 TYR CD2 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 126 TYR HD2 HA 0.169900 0.000000 0.000000 1.300000 1.300000 127 TYR C C 0.597300 0.597300 -0.028200 1.700000 1.700000 128 TYR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 129 GLN N N -0.415700 -0.143800 0.535400 1.550000 1.550000 130 GLN H H 0.271900 0.000000 0.000000 1.300000 1.300000 131 GLN CA CT -0.003100 0.081900 0.566000 1.700000 1.700000 132 GLN HA H1 0.085000 0.000000 0.000000 1.300000 1.300000 133 GLN CB CT -0.003600 0.030600 0.118400 1.700000 1.700000 134 GLN HB2 HC 0.017100 0.000000 0.000000 1.300000 1.300000 135 GLN HB3 HC 0.017100 0.000000 0.000000 1.300000 1.300000 136 GLN CG CT -0.064500 0.005900 0.731600 1.700000 1.700000 137 GLN HG2 HC 0.035200 0.000000 0.000000 1.300000 1.300000 138 GLN HG3 HC 0.035200 0.000000 0.000000 1.300000 1.300000 139 GLN CD C 0.695100 0.695100 0.001900 1.700000 1.700000 140 GLN OE1 O -0.608600 -0.608600 0.086500 1.500000 1.500000 141 GLN NE2 N -0.940700 -0.090500 0.604600 1.550000 1.550000 142 GLN HE21 H 0.425100 0.000000 0.000000 1.300000 1.300000 143 GLN HE22 H 0.425100 0.000000 0.000000 1.300000 1.300000 144 GLN C C 0.597300 0.597300 -0.032500 1.700000 1.700000 145 GLN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 146 GLY N N -0.415700 -0.143800 0.567900 1.550000 1.550000 147 GLY H H 0.271900 0.000000 0.000000 1.300000 1.300000 148 GLY CA CT -0.025200 0.114400 0.567900 1.700000 1.700000 149 GLY HA2 H1 0.069800 0.000000 0.000000 1.300000 1.300000 150 GLY HA3 H1 0.069800 0.000000 0.000000 1.300000 1.300000 151 GLY C C 0.597300 0.597300 0.000000 1.700000 1.700000 152 GLY O O -0.567900 -0.567900 0.029400 1.500000 1.500000 153 SER N N -0.415700 -0.143800 0.512900 1.550000 1.550000 154 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 155 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 156 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 157 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 158 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 159 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 160 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 161 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 162 SER C C 0.597300 0.597300 -0.055000 1.700000 1.700000 163 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 164 TYR N N -0.415700 -0.143800 0.539700 1.550000 1.550000 165 TYR H H 0.271900 0.000000 0.000000 1.300000 1.300000 166 TYR CA CT -0.001400 0.086200 0.583500 1.700000 1.700000 167 TYR HA H1 0.087600 0.000000 0.000000 1.300000 1.300000 168 TYR CB CT -0.015200 0.043800 0.128900 1.700000 1.700000 169 TYR HB2 HC 0.029500 0.000000 0.000000 1.300000 1.300000 170 TYR HB3 HC 0.029500 0.000000 0.000000 1.300000 1.300000 171 TYR CG CA -0.001100 -0.001100 0.001300 1.700000 1.700000 172 TYR CD1 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 173 TYR HD1 HA 0.169900 0.000000 0.000000 1.300000 1.300000 174 TYR CE1 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 175 TYR HE1 HA 0.165600 0.000000 0.000000 1.300000 1.300000 176 TYR CZ C 0.322600 0.322600 0.026900 1.700000 1.700000 177 TYR OH OH -0.557900 -0.158700 0.163900 1.500000 1.500000 178 TYR HH HO 0.399200 0.000000 0.000000 0.800000 0.800000 179 TYR CE2 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 180 TYR HE2 HA 0.165600 0.000000 0.000000 1.300000 1.300000 181 TYR CD2 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 182 TYR HD2 HA 0.169900 0.000000 0.000000 1.300000 1.300000 183 TYR C C 0.597300 0.597300 -0.028200 1.700000 1.700000 184 TYR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 185 GLY N N -0.415700 -0.143800 0.567900 1.550000 1.550000 186 GLY H H 0.271900 0.000000 0.000000 1.300000 1.300000 187 GLY CA CT -0.025200 0.114400 0.567900 1.700000 1.700000 188 GLY HA2 H1 0.069800 0.000000 0.000000 1.300000 1.300000 189 GLY HA3 H1 0.069800 0.000000 0.000000 1.300000 1.300000 190 GLY C C 0.597300 0.597300 0.000000 1.700000 1.700000 191 GLY O O -0.567900 -0.567900 0.029400 1.500000 1.500000 192 PHE N N -0.415700 -0.143800 0.548900 1.550000 1.550000 193 PHE H H 0.271900 0.000000 0.000000 1.300000 1.300000 194 PHE CA CT -0.002400 0.095400 0.573600 1.700000 1.700000 195 PHE HA H1 0.097800 0.000000 0.000000 1.300000 1.300000 196 PHE CB CT -0.034300 0.024700 0.131900 1.700000 1.700000 197 PHE HB2 HC 0.029500 0.000000 0.000000 1.300000 1.300000 198 PHE HB3 HC 0.029500 0.000000 0.000000 1.300000 1.300000 199 PHE CG CA 0.011800 0.011800 0.051300 1.700000 1.700000 200 PHE CD1 CA -0.125600 0.007400 -0.008200 1.700000 1.700000 201 PHE HD1 HA 0.133000 0.000000 0.000000 1.300000 1.300000 202 PHE CE1 CA -0.170400 -0.027400 0.002500 1.700000 1.700000 203 PHE HE1 HA 0.143000 0.000000 0.000000 1.300000 1.300000 204 PHE CZ CA -0.107200 0.022500 -0.032300 1.700000 1.700000 205 PHE HZ HA 0.129700 0.000000 0.000000 1.300000 1.300000 206 PHE CE2 CA -0.170400 -0.027400 0.002500 1.700000 1.700000 207 PHE HE2 HA 0.143000 0.000000 0.000000 1.300000 1.300000 208 PHE CD2 CA -0.125600 0.007400 -0.008200 1.700000 1.700000 209 PHE HD2 HA 0.133000 0.000000 0.000000 1.300000 1.300000 210 PHE C C 0.597300 0.597300 0.051600 1.700000 1.700000 211 PHE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 212 ARG N N -0.347900 -0.073200 0.416400 1.550000 1.550000 213 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 214 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 215 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 216 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 217 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 218 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 219 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 220 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 221 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 222 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 223 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 224 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 225 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 226 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 227 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 228 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 229 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 230 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 231 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 232 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 233 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 234 ARG C C 0.734100 0.734100 -0.106800 1.700000 1.700000 235 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 236 LEU N N -0.415700 -0.143800 0.630700 1.550000 1.550000 237 LEU H H 0.271900 0.000000 0.000000 1.300000 1.300000 238 LEU CA CT -0.051800 0.040400 0.475100 1.700000 1.700000 239 LEU HA H1 0.092200 0.000000 0.000000 1.300000 1.300000 240 LEU CB CT -0.110200 -0.018800 0.338600 1.700000 1.700000 241 LEU HB2 HC 0.045700 0.000000 0.000000 1.300000 1.300000 242 LEU HB3 HC 0.045700 0.000000 0.000000 1.300000 1.300000 243 LEU CG CT 0.353100 0.317000 0.074000 1.700000 1.700000 244 LEU HG HC -0.036100 0.000000 0.000000 1.300000 1.300000 245 LEU CD1 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 246 LEU HD11 HC 0.100000 0.000000 0.000000 1.300000 1.300000 247 LEU HD12 HC 0.100000 0.000000 0.000000 1.300000 1.300000 248 LEU HD13 HC 0.100000 0.000000 0.000000 1.300000 1.300000 249 LEU CD2 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 250 LEU HD21 HC 0.100000 0.000000 0.000000 1.300000 1.300000 251 LEU HD22 HC 0.100000 0.000000 0.000000 1.300000 1.300000 252 LEU HD23 HC 0.100000 0.000000 0.000000 1.300000 1.300000 253 LEU C C 0.597300 0.597300 -0.074000 1.700000 1.700000 254 LEU O O -0.567900 -0.567900 0.029400 1.500000 1.500000 255 GLY N N -0.415700 -0.143800 0.567900 1.550000 1.550000 256 GLY H H 0.271900 0.000000 0.000000 1.300000 1.300000 257 GLY CA CT -0.025200 0.114400 0.567900 1.700000 1.700000 258 GLY HA2 H1 0.069800 0.000000 0.000000 1.300000 1.300000 259 GLY HA3 H1 0.069800 0.000000 0.000000 1.300000 1.300000 260 GLY C C 0.597300 0.597300 0.000000 1.700000 1.700000 261 GLY O O -0.567900 -0.567900 0.029400 1.500000 1.500000 262 PHE N N -0.415700 -0.143800 0.548900 1.550000 1.550000 263 PHE H H 0.271900 0.000000 0.000000 1.300000 1.300000 264 PHE CA CT -0.002400 0.095400 0.573600 1.700000 1.700000 265 PHE HA H1 0.097800 0.000000 0.000000 1.300000 1.300000 266 PHE CB CT -0.034300 0.024700 0.131900 1.700000 1.700000 267 PHE HB2 HC 0.029500 0.000000 0.000000 1.300000 1.300000 268 PHE HB3 HC 0.029500 0.000000 0.000000 1.300000 1.300000 269 PHE CG CA 0.011800 0.011800 0.051300 1.700000 1.700000 270 PHE CD1 CA -0.125600 0.007400 -0.008200 1.700000 1.700000 271 PHE HD1 HA 0.133000 0.000000 0.000000 1.300000 1.300000 272 PHE CE1 CA -0.170400 -0.027400 0.002500 1.700000 1.700000 273 PHE HE1 HA 0.143000 0.000000 0.000000 1.300000 1.300000 274 PHE CZ CA -0.107200 0.022500 -0.032300 1.700000 1.700000 275 PHE HZ HA 0.129700 0.000000 0.000000 1.300000 1.300000 276 PHE CE2 CA -0.170400 -0.027400 0.002500 1.700000 1.700000 277 PHE HE2 HA 0.143000 0.000000 0.000000 1.300000 1.300000 278 PHE CD2 CA -0.125600 0.007400 -0.008200 1.700000 1.700000 279 PHE HD2 HA 0.133000 0.000000 0.000000 1.300000 1.300000 280 PHE C C 0.597300 0.597300 -0.019000 1.700000 1.700000 281 PHE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 282 LEU N N -0.415700 -0.143800 0.493900 1.550000 1.550000 283 LEU H H 0.271900 0.000000 0.000000 1.300000 1.300000 284 LEU CA CT -0.051800 0.040400 0.475100 1.700000 1.700000 285 LEU HA H1 0.092200 0.000000 0.000000 1.300000 1.300000 286 LEU CB CT -0.110200 -0.018800 0.338600 1.700000 1.700000 287 LEU HB2 HC 0.045700 0.000000 0.000000 1.300000 1.300000 288 LEU HB3 HC 0.045700 0.000000 0.000000 1.300000 1.300000 289 LEU CG CT 0.353100 0.317000 0.074000 1.700000 1.700000 290 LEU HG HC -0.036100 0.000000 0.000000 1.300000 1.300000 291 LEU CD1 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 292 LEU HD11 HC 0.100000 0.000000 0.000000 1.300000 1.300000 293 LEU HD12 HC 0.100000 0.000000 0.000000 1.300000 1.300000 294 LEU HD13 HC 0.100000 0.000000 0.000000 1.300000 1.300000 295 LEU CD2 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 296 LEU HD21 HC 0.100000 0.000000 0.000000 1.300000 1.300000 297 LEU HD22 HC 0.100000 0.000000 0.000000 1.300000 1.300000 298 LEU HD23 HC 0.100000 0.000000 0.000000 1.300000 1.300000 299 LEU C C 0.597300 0.597300 -0.074000 1.700000 1.700000 300 LEU O O -0.567900 -0.567900 0.029400 1.500000 1.500000 301 HIE N N -0.415700 -0.143800 0.531400 1.550000 1.550000 302 HIE H H 0.271900 0.000000 0.000000 1.300000 1.300000 303 HIE CA CT -0.058100 0.077900 0.597400 1.700000 1.700000 304 HIE HA H1 0.136000 0.000000 0.000000 1.300000 1.300000 305 HIE CB CT -0.007400 0.066000 0.330700 1.700000 1.700000 306 HIE HB2 HC 0.036700 0.000000 0.000000 1.300000 1.300000 307 HIE HB3 HC 0.036700 0.000000 0.000000 1.300000 1.300000 308 HIE CG CC 0.186800 0.186800 -0.324900 1.700000 1.700000 309 HIE ND1 NB -0.543200 -0.543200 -0.049400 1.550000 1.550000 310 HIE CE1 CR 0.163500 0.307000 -0.181800 1.700000 1.700000 311 HIE HE1 H5 0.143500 0.000000 0.000000 1.300000 1.300000 312 HIE NE2 NA -0.279500 0.054400 0.326900 1.550000 1.550000 313 HIE HE2 H 0.333900 0.000000 0.000000 1.300000 1.300000 314 HIE CD2 CW -0.220700 -0.034500 0.206700 1.700000 1.700000 315 HIE HD2 H4 0.186200 0.000000 0.000000 1.300000 1.300000 316 HIE C C 0.597300 0.597300 -0.036500 1.700000 1.700000 317 HIE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 318 SER N N -0.415700 -0.143800 0.512900 1.550000 1.550000 319 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 320 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 321 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 322 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 323 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 324 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 325 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 326 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 327 SER C C 0.597300 0.597300 -0.055000 1.700000 1.700000 328 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 329 GLY N N -0.415700 -0.143800 0.567900 1.550000 1.550000 330 GLY H H 0.271900 0.000000 0.000000 1.300000 1.300000 331 GLY CA CT -0.025200 0.114400 0.567900 1.700000 1.700000 332 GLY HA2 H1 0.069800 0.000000 0.000000 1.300000 1.300000 333 GLY HA3 H1 0.069800 0.000000 0.000000 1.300000 1.300000 334 GLY C C 0.597300 0.597300 0.000000 1.700000 1.700000 335 GLY O O -0.567900 -0.567900 0.029400 1.500000 1.500000 336 THR N N -0.415700 -0.143800 0.515300 1.550000 1.550000 337 THR H H 0.271900 0.000000 0.000000 1.300000 1.300000 338 THR CA CT -0.038900 0.061800 0.885000 1.700000 1.700000 339 THR HA H1 0.100700 0.000000 0.000000 1.300000 1.300000 340 THR CB CT 0.365400 0.369700 0.114400 1.700000 1.700000 341 THR HB H1 0.004300 0.000000 0.000000 1.300000 1.300000 342 THR CG2 CT -0.243800 -0.051200 0.318500 1.700000 1.700000 343 THR HG21 HC 0.064200 0.000000 0.000000 1.300000 1.300000 344 THR HG22 HC 0.064200 0.000000 0.000000 1.300000 1.300000 345 THR HG23 HC 0.064200 0.000000 0.000000 1.300000 1.300000 346 THR OG1 OH -0.676100 -0.265900 0.103800 1.500000 1.500000 347 THR HG1 HO 0.410200 0.000000 0.000000 0.800000 0.800000 348 THR C C 0.597300 0.597300 -0.052600 1.700000 1.700000 349 THR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 350 ALA N N -0.415700 -0.143800 0.569500 1.550000 1.550000 351 ALA H H 0.271900 0.000000 0.000000 1.300000 1.300000 352 ALA CA CT 0.033700 0.116000 0.567900 1.700000 1.700000 353 ALA HA H1 0.082300 0.000000 0.000000 1.300000 1.300000 354 ALA CB CT -0.182500 -0.001600 0.114400 1.700000 1.700000 355 ALA HB1 HC 0.060300 0.000000 0.000000 1.300000 1.300000 356 ALA HB2 HC 0.060300 0.000000 0.000000 1.300000 1.300000 357 ALA HB3 HC 0.060300 0.000000 0.000000 1.300000 1.300000 358 ALA C C 0.597300 0.597300 0.072200 1.700000 1.700000 359 ALA O O -0.567900 -0.567900 0.029400 1.500000 1.500000 360 LYS N N -0.347900 -0.073200 0.426700 1.550000 1.550000 361 LYS H H 0.274700 0.000000 0.000000 1.300000 1.300000 362 LYS CA CT -0.240000 -0.097400 0.626500 1.700000 1.700000 363 LYS HA H1 0.142600 0.000000 0.000000 1.300000 1.300000 364 LYS CB CT -0.009400 0.063000 0.004900 1.700000 1.700000 365 LYS HB2 HC 0.036200 0.000000 0.000000 1.300000 1.300000 366 LYS HB3 HC 0.036200 0.000000 0.000000 1.300000 1.300000 367 LYS CG CT 0.018700 0.039300 0.178600 1.700000 1.700000 368 LYS HG2 HC 0.010300 0.000000 0.000000 1.300000 1.300000 369 LYS HG3 HC 0.010300 0.000000 0.000000 1.300000 1.300000 370 LYS CD CT -0.047900 0.076300 0.328300 1.700000 1.700000 371 LYS HD2 HC 0.062100 0.000000 0.000000 1.300000 1.300000 372 LYS HD3 HC 0.062100 0.000000 0.000000 1.300000 1.300000 373 LYS CE CT -0.014300 0.212700 0.923600 1.700000 1.700000 374 LYS HE2 HP 0.113500 0.000000 0.000000 1.300000 1.300000 375 LYS HE3 HP 0.113500 0.000000 0.000000 1.300000 1.300000 376 LYS NZ N3 -0.385400 0.634600 0.847300 1.550000 1.550000 377 LYS HZ1 H 0.340000 0.000000 0.000000 1.300000 1.300000 378 LYS HZ2 H 0.340000 0.000000 0.000000 1.300000 1.300000 379 LYS HZ3 H 0.340000 0.000000 0.000000 1.300000 1.300000 380 LYS C C 0.734100 0.734100 -0.096500 1.700000 1.700000 381 LYS O O -0.589400 -0.589400 0.144700 1.500000 1.500000 382 SER N N -0.415700 -0.143800 0.649700 1.550000 1.550000 383 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 384 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 385 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 386 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 387 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 388 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 389 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 390 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 391 SER C C 0.597300 0.597300 -0.055000 1.700000 1.700000 392 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 393 VAL N N -0.415700 -0.143800 0.462900 1.550000 1.550000 394 VAL H H 0.271900 0.000000 0.000000 1.300000 1.300000 395 VAL CA CT -0.087500 0.009400 0.731700 1.700000 1.700000 396 VAL HA H1 0.096900 0.000000 0.000000 1.300000 1.300000 397 VAL CB CT 0.298500 0.268800 0.114400 1.700000 1.700000 398 VAL HB HC -0.029700 0.000000 0.000000 1.300000 1.300000 399 VAL CG1 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 400 VAL HG11 HC 0.079100 0.000000 0.000000 1.300000 1.300000 401 VAL HG12 HC 0.079100 0.000000 0.000000 1.300000 1.300000 402 VAL HG13 HC 0.079100 0.000000 0.000000 1.300000 1.300000 403 VAL CG2 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 404 VAL HG21 HC 0.079100 0.000000 0.000000 1.300000 1.300000 405 VAL HG22 HC 0.079100 0.000000 0.000000 1.300000 1.300000 406 VAL HG23 HC 0.079100 0.000000 0.000000 1.300000 1.300000 407 VAL C C 0.597300 0.597300 -0.105000 1.700000 1.700000 408 VAL O O -0.567900 -0.567900 0.029400 1.500000 1.500000 409 THR N N -0.415700 -0.143800 0.515300 1.550000 1.550000 410 THR H H 0.271900 0.000000 0.000000 1.300000 1.300000 411 THR CA CT -0.038900 0.061800 0.885000 1.700000 1.700000 412 THR HA H1 0.100700 0.000000 0.000000 1.300000 1.300000 413 THR CB CT 0.365400 0.369700 0.114400 1.700000 1.700000 414 THR HB H1 0.004300 0.000000 0.000000 1.300000 1.300000 415 THR CG2 CT -0.243800 -0.051200 0.318500 1.700000 1.700000 416 THR HG21 HC 0.064200 0.000000 0.000000 1.300000 1.300000 417 THR HG22 HC 0.064200 0.000000 0.000000 1.300000 1.300000 418 THR HG23 HC 0.064200 0.000000 0.000000 1.300000 1.300000 419 THR OG1 OH -0.676100 -0.265900 0.103800 1.500000 1.500000 420 THR HG1 HO 0.410200 0.000000 0.000000 0.800000 0.800000 421 THR C C 0.597300 0.597300 -0.052600 1.700000 1.700000 422 THR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 423 CYS N N -0.415700 -0.143800 0.587200 1.550000 1.550000 424 CYS H H 0.271900 0.000000 0.000000 1.300000 1.300000 425 CYS CA CT 0.021300 0.133700 0.686500 1.700000 1.700000 426 CYS HA H1 0.112400 0.000000 0.000000 1.300000 1.300000 427 CYS CB CT -0.123100 0.099300 0.114400 1.700000 1.700000 428 CYS HB2 H1 0.111200 0.000000 0.000000 1.300000 1.300000 429 CYS HB3 H1 0.111200 0.000000 0.000000 1.300000 1.300000 430 CYS SG SH -0.311900 -0.118600 -0.019300 1.800000 1.800000 431 CYS HG HS 0.193300 0.000000 0.000000 0.800000 0.800000 432 CYS C C 0.597300 0.597300 0.019300 1.700000 1.700000 433 CYS O O -0.567900 -0.567900 0.029400 1.500000 1.500000 434 THR N N -0.415700 -0.143800 0.515300 1.550000 1.550000 435 THR H H 0.271900 0.000000 0.000000 1.300000 1.300000 436 THR CA CT -0.038900 0.061800 0.885000 1.700000 1.700000 437 THR HA H1 0.100700 0.000000 0.000000 1.300000 1.300000 438 THR CB CT 0.365400 0.369700 0.114400 1.700000 1.700000 439 THR HB H1 0.004300 0.000000 0.000000 1.300000 1.300000 440 THR CG2 CT -0.243800 -0.051200 0.318500 1.700000 1.700000 441 THR HG21 HC 0.064200 0.000000 0.000000 1.300000 1.300000 442 THR HG22 HC 0.064200 0.000000 0.000000 1.300000 1.300000 443 THR HG23 HC 0.064200 0.000000 0.000000 1.300000 1.300000 444 THR OG1 OH -0.676100 -0.265900 0.103800 1.500000 1.500000 445 THR HG1 HO 0.410200 0.000000 0.000000 0.800000 0.800000 446 THR C C 0.597300 0.597300 -0.052600 1.700000 1.700000 447 THR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 448 TYR N N -0.415700 -0.143800 0.539700 1.550000 1.550000 449 TYR H H 0.271900 0.000000 0.000000 1.300000 1.300000 450 TYR CA CT -0.001400 0.086200 0.583500 1.700000 1.700000 451 TYR HA H1 0.087600 0.000000 0.000000 1.300000 1.300000 452 TYR CB CT -0.015200 0.043800 0.128900 1.700000 1.700000 453 TYR HB2 HC 0.029500 0.000000 0.000000 1.300000 1.300000 454 TYR HB3 HC 0.029500 0.000000 0.000000 1.300000 1.300000 455 TYR CG CA -0.001100 -0.001100 0.001300 1.700000 1.700000 456 TYR CD1 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 457 TYR HD1 HA 0.169900 0.000000 0.000000 1.300000 1.300000 458 TYR CE1 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 459 TYR HE1 HA 0.165600 0.000000 0.000000 1.300000 1.300000 460 TYR CZ C 0.322600 0.322600 0.026900 1.700000 1.700000 461 TYR OH OH -0.557900 -0.158700 0.163900 1.500000 1.500000 462 TYR HH HO 0.399200 0.000000 0.000000 0.800000 0.800000 463 TYR CE2 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 464 TYR HE2 HA 0.165600 0.000000 0.000000 1.300000 1.300000 465 TYR CD2 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 466 TYR HD2 HA 0.169900 0.000000 0.000000 1.300000 1.300000 467 TYR C C 0.597300 0.597300 -0.028200 1.700000 1.700000 468 TYR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 469 SER N N -0.415700 -0.143800 0.512900 1.550000 1.550000 470 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 471 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 472 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 473 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 474 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 475 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 476 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 477 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 478 SER C C 0.597300 0.597300 -0.166000 1.700000 1.700000 479 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 480 PRO N N -0.254800 -0.254800 0.477400 1.550000 1.550000 481 PRO CD CT 0.019200 0.097400 -0.095900 1.700000 1.700000 482 PRO HD2 H1 0.039100 0.000000 0.000000 1.300000 1.300000 483 PRO HD3 H1 0.039100 0.000000 0.000000 1.300000 1.300000 484 PRO CG CT 0.018900 0.061500 0.202500 1.700000 1.700000 485 PRO HG2 HC 0.021300 0.000000 0.000000 1.300000 1.300000 486 PRO HG3 HC 0.021300 0.000000 0.000000 1.300000 1.300000 487 PRO CB CT -0.007000 0.043600 0.142600 1.700000 1.700000 488 PRO HB2 HC 0.025300 0.000000 0.000000 1.300000 1.300000 489 PRO HB3 HC 0.025300 0.000000 0.000000 1.300000 1.300000 490 PRO CA CT -0.026600 0.037500 0.415900 1.700000 1.700000 491 PRO HA H1 0.064100 0.000000 0.000000 1.300000 1.300000 492 PRO C C 0.589600 0.589600 -0.091500 1.700000 1.700000 493 PRO O O -0.574800 -0.574800 0.014800 1.500000 1.500000 494 ALA N N -0.415700 -0.143800 0.561800 1.550000 1.550000 495 ALA H H 0.271900 0.000000 0.000000 1.300000 1.300000 496 ALA CA CT 0.033700 0.116000 0.567900 1.700000 1.700000 497 ALA HA H1 0.082300 0.000000 0.000000 1.300000 1.300000 498 ALA CB CT -0.182500 -0.001600 0.114400 1.700000 1.700000 499 ALA HB1 HC 0.060300 0.000000 0.000000 1.300000 1.300000 500 ALA HB2 HC 0.060300 0.000000 0.000000 1.300000 1.300000 501 ALA HB3 HC 0.060300 0.000000 0.000000 1.300000 1.300000 502 ALA C C 0.597300 0.597300 0.001600 1.700000 1.700000 503 ALA O O -0.567900 -0.567900 0.029400 1.500000 1.500000 504 LEU N N -0.415700 -0.143800 0.493900 1.550000 1.550000 505 LEU H H 0.271900 0.000000 0.000000 1.300000 1.300000 506 LEU CA CT -0.051800 0.040400 0.475100 1.700000 1.700000 507 LEU HA H1 0.092200 0.000000 0.000000 1.300000 1.300000 508 LEU CB CT -0.110200 -0.018800 0.338600 1.700000 1.700000 509 LEU HB2 HC 0.045700 0.000000 0.000000 1.300000 1.300000 510 LEU HB3 HC 0.045700 0.000000 0.000000 1.300000 1.300000 511 LEU CG CT 0.353100 0.317000 0.074000 1.700000 1.700000 512 LEU HG HC -0.036100 0.000000 0.000000 1.300000 1.300000 513 LEU CD1 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 514 LEU HD11 HC 0.100000 0.000000 0.000000 1.300000 1.300000 515 LEU HD12 HC 0.100000 0.000000 0.000000 1.300000 1.300000 516 LEU HD13 HC 0.100000 0.000000 0.000000 1.300000 1.300000 517 LEU CD2 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 518 LEU HD21 HC 0.100000 0.000000 0.000000 1.300000 1.300000 519 LEU HD22 HC 0.100000 0.000000 0.000000 1.300000 1.300000 520 LEU HD23 HC 0.100000 0.000000 0.000000 1.300000 1.300000 521 LEU C C 0.597300 0.597300 -0.074000 1.700000 1.700000 522 LEU O O -0.567900 -0.567900 0.029400 1.500000 1.500000 523 ASN N N -0.415700 -0.143800 0.572600 1.550000 1.550000 524 ASN H H 0.271900 0.000000 0.000000 1.300000 1.300000 525 ASN CA CT 0.014300 0.119100 0.527900 1.700000 1.700000 526 ASN HA H1 0.104800 0.000000 0.000000 1.300000 1.300000 527 ASN CB CT -0.204100 -0.044700 0.787400 1.700000 1.700000 528 ASN HB2 HC 0.079700 0.000000 0.000000 1.300000 1.300000 529 ASN HB3 HC 0.079700 0.000000 0.000000 1.300000 1.300000 530 ASN CG C 0.713000 0.713000 -0.004700 1.700000 1.700000 531 ASN OD1 O -0.593100 -0.593100 0.119900 1.500000 1.500000 532 ASN ND2 N -0.919100 -0.079900 0.633100 1.550000 1.550000 533 ASN HD21 H 0.419600 0.000000 0.000000 1.300000 1.300000 534 ASN HD22 H 0.419600 0.000000 0.000000 1.300000 1.300000 535 ASN C C 0.597300 0.597300 0.075300 1.700000 1.700000 536 ASN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 537 LYS N N -0.347900 -0.073200 0.426700 1.550000 1.550000 538 LYS H H 0.274700 0.000000 0.000000 1.300000 1.300000 539 LYS CA CT -0.240000 -0.097400 0.626500 1.700000 1.700000 540 LYS HA H1 0.142600 0.000000 0.000000 1.300000 1.300000 541 LYS CB CT -0.009400 0.063000 0.004900 1.700000 1.700000 542 LYS HB2 HC 0.036200 0.000000 0.000000 1.300000 1.300000 543 LYS HB3 HC 0.036200 0.000000 0.000000 1.300000 1.300000 544 LYS CG CT 0.018700 0.039300 0.178600 1.700000 1.700000 545 LYS HG2 HC 0.010300 0.000000 0.000000 1.300000 1.300000 546 LYS HG3 HC 0.010300 0.000000 0.000000 1.300000 1.300000 547 LYS CD CT -0.047900 0.076300 0.328300 1.700000 1.700000 548 LYS HD2 HC 0.062100 0.000000 0.000000 1.300000 1.300000 549 LYS HD3 HC 0.062100 0.000000 0.000000 1.300000 1.300000 550 LYS CE CT -0.014300 0.212700 0.923600 1.700000 1.700000 551 LYS HE2 HP 0.113500 0.000000 0.000000 1.300000 1.300000 552 LYS HE3 HP 0.113500 0.000000 0.000000 1.300000 1.300000 553 LYS NZ N3 -0.385400 0.634600 0.847300 1.550000 1.550000 554 LYS HZ1 H 0.340000 0.000000 0.000000 1.300000 1.300000 555 LYS HZ2 H 0.340000 0.000000 0.000000 1.300000 1.300000 556 LYS HZ3 H 0.340000 0.000000 0.000000 1.300000 1.300000 557 LYS C C 0.734100 0.734100 -0.096500 1.700000 1.700000 558 LYS O O -0.589400 -0.589400 0.144700 1.500000 1.500000 559 MET N N -0.415700 -0.143800 0.654600 1.550000 1.550000 560 MET H H 0.271900 0.000000 0.000000 1.300000 1.300000 561 MET CA CT -0.023700 0.064300 0.600200 1.700000 1.700000 562 MET HA H1 0.088000 0.000000 0.000000 1.300000 1.300000 563 MET CB CT 0.034200 0.082400 0.236500 1.700000 1.700000 564 MET HB2 HC 0.024100 0.000000 0.000000 1.300000 1.300000 565 MET HB3 HC 0.024100 0.000000 0.000000 1.300000 1.300000 566 MET CG CT 0.001800 0.089800 -0.101500 1.700000 1.700000 567 MET HG2 H1 0.044000 0.000000 0.000000 1.300000 1.300000 568 MET HG3 H1 0.044000 0.000000 0.000000 1.300000 1.300000 569 MET SD S -0.273700 -0.273700 -0.032300 1.800000 1.800000 570 MET CE CT -0.053600 0.151600 -0.122100 1.700000 1.700000 571 MET HE1 H1 0.068400 0.000000 0.000000 1.300000 1.300000 572 MET HE2 H1 0.068400 0.000000 0.000000 1.300000 1.300000 573 MET HE3 H1 0.068400 0.000000 0.000000 1.300000 1.300000 574 MET C C 0.597300 0.597300 -0.050100 1.700000 1.700000 575 MET O O -0.567900 -0.567900 0.029400 1.500000 1.500000 576 PHE N N -0.415700 -0.143800 0.548900 1.550000 1.550000 577 PHE H H 0.271900 0.000000 0.000000 1.300000 1.300000 578 PHE CA CT -0.002400 0.095400 0.573600 1.700000 1.700000 579 PHE HA H1 0.097800 0.000000 0.000000 1.300000 1.300000 580 PHE CB CT -0.034300 0.024700 0.131900 1.700000 1.700000 581 PHE HB2 HC 0.029500 0.000000 0.000000 1.300000 1.300000 582 PHE HB3 HC 0.029500 0.000000 0.000000 1.300000 1.300000 583 PHE CG CA 0.011800 0.011800 0.051300 1.700000 1.700000 584 PHE CD1 CA -0.125600 0.007400 -0.008200 1.700000 1.700000 585 PHE HD1 HA 0.133000 0.000000 0.000000 1.300000 1.300000 586 PHE CE1 CA -0.170400 -0.027400 0.002500 1.700000 1.700000 587 PHE HE1 HA 0.143000 0.000000 0.000000 1.300000 1.300000 588 PHE CZ CA -0.107200 0.022500 -0.032300 1.700000 1.700000 589 PHE HZ HA 0.129700 0.000000 0.000000 1.300000 1.300000 590 PHE CE2 CA -0.170400 -0.027400 0.002500 1.700000 1.700000 591 PHE HE2 HA 0.143000 0.000000 0.000000 1.300000 1.300000 592 PHE CD2 CA -0.125600 0.007400 -0.008200 1.700000 1.700000 593 PHE HD2 HA 0.133000 0.000000 0.000000 1.300000 1.300000 594 PHE C C 0.597300 0.597300 -0.019000 1.700000 1.700000 595 PHE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 596 CYS N N -0.415700 -0.143800 0.587200 1.550000 1.550000 597 CYS H H 0.271900 0.000000 0.000000 1.300000 1.300000 598 CYS CA CT 0.021300 0.133700 0.686500 1.700000 1.700000 599 CYS HA H1 0.112400 0.000000 0.000000 1.300000 1.300000 600 CYS CB CT -0.123100 0.099300 0.114400 1.700000 1.700000 601 CYS HB2 H1 0.111200 0.000000 0.000000 1.300000 1.300000 602 CYS HB3 H1 0.111200 0.000000 0.000000 1.300000 1.300000 603 CYS SG SH -0.311900 -0.118600 -0.019300 1.800000 1.800000 604 CYS HG HS 0.193300 0.000000 0.000000 0.800000 0.800000 605 CYS C C 0.597300 0.597300 0.019300 1.700000 1.700000 606 CYS O O -0.567900 -0.567900 0.029400 1.500000 1.500000 607 GLN N N -0.415700 -0.143800 0.535400 1.550000 1.550000 608 GLN H H 0.271900 0.000000 0.000000 1.300000 1.300000 609 GLN CA CT -0.003100 0.081900 0.566000 1.700000 1.700000 610 GLN HA H1 0.085000 0.000000 0.000000 1.300000 1.300000 611 GLN CB CT -0.003600 0.030600 0.118400 1.700000 1.700000 612 GLN HB2 HC 0.017100 0.000000 0.000000 1.300000 1.300000 613 GLN HB3 HC 0.017100 0.000000 0.000000 1.300000 1.300000 614 GLN CG CT -0.064500 0.005900 0.731600 1.700000 1.700000 615 GLN HG2 HC 0.035200 0.000000 0.000000 1.300000 1.300000 616 GLN HG3 HC 0.035200 0.000000 0.000000 1.300000 1.300000 617 GLN CD C 0.695100 0.695100 0.001900 1.700000 1.700000 618 GLN OE1 O -0.608600 -0.608600 0.086500 1.500000 1.500000 619 GLN NE2 N -0.940700 -0.090500 0.604600 1.550000 1.550000 620 GLN HE21 H 0.425100 0.000000 0.000000 1.300000 1.300000 621 GLN HE22 H 0.425100 0.000000 0.000000 1.300000 1.300000 622 GLN C C 0.597300 0.597300 -0.032500 1.700000 1.700000 623 GLN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 624 LEU N N -0.415700 -0.143800 0.493900 1.550000 1.550000 625 LEU H H 0.271900 0.000000 0.000000 1.300000 1.300000 626 LEU CA CT -0.051800 0.040400 0.475100 1.700000 1.700000 627 LEU HA H1 0.092200 0.000000 0.000000 1.300000 1.300000 628 LEU CB CT -0.110200 -0.018800 0.338600 1.700000 1.700000 629 LEU HB2 HC 0.045700 0.000000 0.000000 1.300000 1.300000 630 LEU HB3 HC 0.045700 0.000000 0.000000 1.300000 1.300000 631 LEU CG CT 0.353100 0.317000 0.074000 1.700000 1.700000 632 LEU HG HC -0.036100 0.000000 0.000000 1.300000 1.300000 633 LEU CD1 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 634 LEU HD11 HC 0.100000 0.000000 0.000000 1.300000 1.300000 635 LEU HD12 HC 0.100000 0.000000 0.000000 1.300000 1.300000 636 LEU HD13 HC 0.100000 0.000000 0.000000 1.300000 1.300000 637 LEU CD2 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 638 LEU HD21 HC 0.100000 0.000000 0.000000 1.300000 1.300000 639 LEU HD22 HC 0.100000 0.000000 0.000000 1.300000 1.300000 640 LEU HD23 HC 0.100000 0.000000 0.000000 1.300000 1.300000 641 LEU C C 0.597300 0.597300 -0.074000 1.700000 1.700000 642 LEU O O -0.567900 -0.567900 0.029400 1.500000 1.500000 643 ALA N N -0.415700 -0.143800 0.569500 1.550000 1.550000 644 ALA H H 0.271900 0.000000 0.000000 1.300000 1.300000 645 ALA CA CT 0.033700 0.116000 0.567900 1.700000 1.700000 646 ALA HA H1 0.082300 0.000000 0.000000 1.300000 1.300000 647 ALA CB CT -0.182500 -0.001600 0.114400 1.700000 1.700000 648 ALA HB1 HC 0.060300 0.000000 0.000000 1.300000 1.300000 649 ALA HB2 HC 0.060300 0.000000 0.000000 1.300000 1.300000 650 ALA HB3 HC 0.060300 0.000000 0.000000 1.300000 1.300000 651 ALA C C 0.597300 0.597300 0.072200 1.700000 1.700000 652 ALA O O -0.567900 -0.567900 0.029400 1.500000 1.500000 653 LYS N N -0.347900 -0.073200 0.426700 1.550000 1.550000 654 LYS H H 0.274700 0.000000 0.000000 1.300000 1.300000 655 LYS CA CT -0.240000 -0.097400 0.626500 1.700000 1.700000 656 LYS HA H1 0.142600 0.000000 0.000000 1.300000 1.300000 657 LYS CB CT -0.009400 0.063000 0.004900 1.700000 1.700000 658 LYS HB2 HC 0.036200 0.000000 0.000000 1.300000 1.300000 659 LYS HB3 HC 0.036200 0.000000 0.000000 1.300000 1.300000 660 LYS CG CT 0.018700 0.039300 0.178600 1.700000 1.700000 661 LYS HG2 HC 0.010300 0.000000 0.000000 1.300000 1.300000 662 LYS HG3 HC 0.010300 0.000000 0.000000 1.300000 1.300000 663 LYS CD CT -0.047900 0.076300 0.328300 1.700000 1.700000 664 LYS HD2 HC 0.062100 0.000000 0.000000 1.300000 1.300000 665 LYS HD3 HC 0.062100 0.000000 0.000000 1.300000 1.300000 666 LYS CE CT -0.014300 0.212700 0.923600 1.700000 1.700000 667 LYS HE2 HP 0.113500 0.000000 0.000000 1.300000 1.300000 668 LYS HE3 HP 0.113500 0.000000 0.000000 1.300000 1.300000 669 LYS NZ N3 -0.385400 0.634600 0.847300 1.550000 1.550000 670 LYS HZ1 H 0.340000 0.000000 0.000000 1.300000 1.300000 671 LYS HZ2 H 0.340000 0.000000 0.000000 1.300000 1.300000 672 LYS HZ3 H 0.340000 0.000000 0.000000 1.300000 1.300000 673 LYS C C 0.734100 0.734100 -0.096500 1.700000 1.700000 674 LYS O O -0.589400 -0.589400 0.144700 1.500000 1.500000 675 THR N N -0.415700 -0.143800 0.652100 1.550000 1.550000 676 THR H H 0.271900 0.000000 0.000000 1.300000 1.300000 677 THR CA CT -0.038900 0.061800 0.885000 1.700000 1.700000 678 THR HA H1 0.100700 0.000000 0.000000 1.300000 1.300000 679 THR CB CT 0.365400 0.369700 0.114400 1.700000 1.700000 680 THR HB H1 0.004300 0.000000 0.000000 1.300000 1.300000 681 THR CG2 CT -0.243800 -0.051200 0.318500 1.700000 1.700000 682 THR HG21 HC 0.064200 0.000000 0.000000 1.300000 1.300000 683 THR HG22 HC 0.064200 0.000000 0.000000 1.300000 1.300000 684 THR HG23 HC 0.064200 0.000000 0.000000 1.300000 1.300000 685 THR OG1 OH -0.676100 -0.265900 0.103800 1.500000 1.500000 686 THR HG1 HO 0.410200 0.000000 0.000000 0.800000 0.800000 687 THR C C 0.597300 0.597300 -0.052600 1.700000 1.700000 688 THR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 689 CYS N N -0.415700 -0.143800 0.587200 1.550000 1.550000 690 CYS H H 0.271900 0.000000 0.000000 1.300000 1.300000 691 CYS CA CT 0.021300 0.133700 0.686500 1.700000 1.700000 692 CYS HA H1 0.112400 0.000000 0.000000 1.300000 1.300000 693 CYS CB CT -0.123100 0.099300 0.114400 1.700000 1.700000 694 CYS HB2 H1 0.111200 0.000000 0.000000 1.300000 1.300000 695 CYS HB3 H1 0.111200 0.000000 0.000000 1.300000 1.300000 696 CYS SG SH -0.311900 -0.118600 -0.019300 1.800000 1.800000 697 CYS HG HS 0.193300 0.000000 0.000000 0.800000 0.800000 698 CYS C C 0.597300 0.597300 -0.091700 1.700000 1.700000 699 CYS O O -0.567900 -0.567900 0.029400 1.500000 1.500000 700 PRO N N -0.254800 -0.254800 0.477400 1.550000 1.550000 701 PRO CD CT 0.019200 0.097400 -0.095900 1.700000 1.700000 702 PRO HD2 H1 0.039100 0.000000 0.000000 1.300000 1.300000 703 PRO HD3 H1 0.039100 0.000000 0.000000 1.300000 1.300000 704 PRO CG CT 0.018900 0.061500 0.202500 1.700000 1.700000 705 PRO HG2 HC 0.021300 0.000000 0.000000 1.300000 1.300000 706 PRO HG3 HC 0.021300 0.000000 0.000000 1.300000 1.300000 707 PRO CB CT -0.007000 0.043600 0.142600 1.700000 1.700000 708 PRO HB2 HC 0.025300 0.000000 0.000000 1.300000 1.300000 709 PRO HB3 HC 0.025300 0.000000 0.000000 1.300000 1.300000 710 PRO CA CT -0.026600 0.037500 0.415900 1.700000 1.700000 711 PRO HA H1 0.064100 0.000000 0.000000 1.300000 1.300000 712 PRO C C 0.589600 0.589600 -0.091500 1.700000 1.700000 713 PRO O O -0.574800 -0.574800 0.014800 1.500000 1.500000 714 VAL N N -0.415700 -0.143800 0.455200 1.550000 1.550000 715 VAL H H 0.271900 0.000000 0.000000 1.300000 1.300000 716 VAL CA CT -0.087500 0.009400 0.731700 1.700000 1.700000 717 VAL HA H1 0.096900 0.000000 0.000000 1.300000 1.300000 718 VAL CB CT 0.298500 0.268800 0.114400 1.700000 1.700000 719 VAL HB HC -0.029700 0.000000 0.000000 1.300000 1.300000 720 VAL CG1 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 721 VAL HG11 HC 0.079100 0.000000 0.000000 1.300000 1.300000 722 VAL HG12 HC 0.079100 0.000000 0.000000 1.300000 1.300000 723 VAL HG13 HC 0.079100 0.000000 0.000000 1.300000 1.300000 724 VAL CG2 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 725 VAL HG21 HC 0.079100 0.000000 0.000000 1.300000 1.300000 726 VAL HG22 HC 0.079100 0.000000 0.000000 1.300000 1.300000 727 VAL HG23 HC 0.079100 0.000000 0.000000 1.300000 1.300000 728 VAL C C 0.597300 0.597300 -0.105000 1.700000 1.700000 729 VAL O O -0.567900 -0.567900 0.029400 1.500000 1.500000 730 GLN N N -0.415700 -0.143800 0.535400 1.550000 1.550000 731 GLN H H 0.271900 0.000000 0.000000 1.300000 1.300000 732 GLN CA CT -0.003100 0.081900 0.566000 1.700000 1.700000 733 GLN HA H1 0.085000 0.000000 0.000000 1.300000 1.300000 734 GLN CB CT -0.003600 0.030600 0.118400 1.700000 1.700000 735 GLN HB2 HC 0.017100 0.000000 0.000000 1.300000 1.300000 736 GLN HB3 HC 0.017100 0.000000 0.000000 1.300000 1.300000 737 GLN CG CT -0.064500 0.005900 0.731600 1.700000 1.700000 738 GLN HG2 HC 0.035200 0.000000 0.000000 1.300000 1.300000 739 GLN HG3 HC 0.035200 0.000000 0.000000 1.300000 1.300000 740 GLN CD C 0.695100 0.695100 0.001900 1.700000 1.700000 741 GLN OE1 O -0.608600 -0.608600 0.086500 1.500000 1.500000 742 GLN NE2 N -0.940700 -0.090500 0.604600 1.550000 1.550000 743 GLN HE21 H 0.425100 0.000000 0.000000 1.300000 1.300000 744 GLN HE22 H 0.425100 0.000000 0.000000 1.300000 1.300000 745 GLN C C 0.597300 0.597300 -0.032500 1.700000 1.700000 746 GLN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 747 LEU N N -0.415700 -0.143800 0.493900 1.550000 1.550000 748 LEU H H 0.271900 0.000000 0.000000 1.300000 1.300000 749 LEU CA CT -0.051800 0.040400 0.475100 1.700000 1.700000 750 LEU HA H1 0.092200 0.000000 0.000000 1.300000 1.300000 751 LEU CB CT -0.110200 -0.018800 0.338600 1.700000 1.700000 752 LEU HB2 HC 0.045700 0.000000 0.000000 1.300000 1.300000 753 LEU HB3 HC 0.045700 0.000000 0.000000 1.300000 1.300000 754 LEU CG CT 0.353100 0.317000 0.074000 1.700000 1.700000 755 LEU HG HC -0.036100 0.000000 0.000000 1.300000 1.300000 756 LEU CD1 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 757 LEU HD11 HC 0.100000 0.000000 0.000000 1.300000 1.300000 758 LEU HD12 HC 0.100000 0.000000 0.000000 1.300000 1.300000 759 LEU HD13 HC 0.100000 0.000000 0.000000 1.300000 1.300000 760 LEU CD2 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 761 LEU HD21 HC 0.100000 0.000000 0.000000 1.300000 1.300000 762 LEU HD22 HC 0.100000 0.000000 0.000000 1.300000 1.300000 763 LEU HD23 HC 0.100000 0.000000 0.000000 1.300000 1.300000 764 LEU C C 0.597300 0.597300 -0.074000 1.700000 1.700000 765 LEU O O -0.567900 -0.567900 0.029400 1.500000 1.500000 766 TRP N N -0.415700 -0.143800 0.538300 1.550000 1.550000 767 TRP H H 0.271900 0.000000 0.000000 1.300000 1.300000 768 TRP CA CT -0.027500 0.084800 0.601100 1.700000 1.700000 769 TRP HA H1 0.112300 0.000000 0.000000 1.300000 1.300000 770 TRP CB CT -0.005000 0.062800 0.006100 1.700000 1.700000 771 TRP HB2 HC 0.033900 0.000000 0.000000 1.300000 1.300000 772 TRP HB3 HC 0.033900 0.000000 0.000000 1.300000 1.300000 773 TRP CG C* -0.141500 -0.141500 0.088000 1.700000 1.700000 774 TRP CD1 CW -0.163800 0.042400 -0.099700 1.700000 1.700000 775 TRP HD1 H4 0.206200 0.000000 0.000000 1.300000 1.300000 776 TRP NE1 NA -0.341800 -0.000600 0.179800 1.550000 1.550000 777 TRP HE1 H 0.341200 0.000000 0.000000 1.300000 1.300000 778 TRP CE2 CN 0.138000 0.138000 0.158800 1.700000 1.700000 779 TRP CZ2 CA -0.260100 -0.102900 0.063400 1.700000 1.700000 780 TRP HZ2 HA 0.157200 0.000000 0.000000 1.300000 1.300000 781 TRP CH2 CA -0.113400 0.028300 -0.127100 1.700000 1.700000 782 TRP HH2 HA 0.141700 0.000000 0.000000 1.300000 1.300000 783 TRP CZ3 CA -0.197200 -0.052500 -0.092900 1.700000 1.700000 784 TRP HZ3 HA 0.144700 0.000000 0.000000 1.300000 1.300000 785 TRP CE3 CA -0.238700 -0.068700 0.003100 1.700000 1.700000 786 TRP HE3 HA 0.170000 0.000000 0.000000 1.300000 1.300000 787 TRP CD2 CB 0.124300 0.124300 0.052100 1.700000 1.700000 788 TRP C C 0.597300 0.597300 -0.029600 1.700000 1.700000 789 TRP O O -0.567900 -0.567900 0.029400 1.500000 1.500000 790 VAL N N -0.415700 -0.143800 0.462900 1.550000 1.550000 791 VAL H H 0.271900 0.000000 0.000000 1.300000 1.300000 792 VAL CA CT -0.087500 0.009400 0.731700 1.700000 1.700000 793 VAL HA H1 0.096900 0.000000 0.000000 1.300000 1.300000 794 VAL CB CT 0.298500 0.268800 0.114400 1.700000 1.700000 795 VAL HB HC -0.029700 0.000000 0.000000 1.300000 1.300000 796 VAL CG1 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 797 VAL HG11 HC 0.079100 0.000000 0.000000 1.300000 1.300000 798 VAL HG12 HC 0.079100 0.000000 0.000000 1.300000 1.300000 799 VAL HG13 HC 0.079100 0.000000 0.000000 1.300000 1.300000 800 VAL CG2 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 801 VAL HG21 HC 0.079100 0.000000 0.000000 1.300000 1.300000 802 VAL HG22 HC 0.079100 0.000000 0.000000 1.300000 1.300000 803 VAL HG23 HC 0.079100 0.000000 0.000000 1.300000 1.300000 804 VAL C C 0.597300 0.597300 -0.183900 1.700000 1.700000 805 VAL O O -0.567900 -0.567900 0.029400 1.500000 1.500000 806 ASP N N -0.516300 -0.222700 0.500700 1.550000 1.550000 807 ASP H H 0.293600 0.000000 0.000000 1.300000 1.300000 808 ASP CA CT 0.038100 0.126100 0.385300 1.700000 1.700000 809 ASP HA H1 0.088000 0.000000 0.000000 1.300000 1.300000 810 ASP CB CT -0.030300 -0.054700 0.870800 1.700000 1.700000 811 ASP HB2 HC -0.012200 0.000000 0.000000 1.300000 1.300000 812 ASP HB3 HC -0.012200 0.000000 0.000000 1.300000 1.300000 813 ASP CG C 0.799400 0.799400 -0.858100 1.700000 1.700000 814 ASP OD1 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 815 ASP OD2 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 816 ASP C C 0.536600 0.536600 -0.063000 1.700000 1.700000 817 ASP O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 818 SER N N -0.415700 -0.143800 0.452200 1.550000 1.550000 819 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 820 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 821 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 822 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 823 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 824 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 825 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 826 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 827 SER C C 0.597300 0.597300 -0.055000 1.700000 1.700000 828 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 829 THR N N -0.415700 -0.143800 0.515300 1.550000 1.550000 830 THR H H 0.271900 0.000000 0.000000 1.300000 1.300000 831 THR CA CT -0.038900 0.061800 0.885000 1.700000 1.700000 832 THR HA H1 0.100700 0.000000 0.000000 1.300000 1.300000 833 THR CB CT 0.365400 0.369700 0.114400 1.700000 1.700000 834 THR HB H1 0.004300 0.000000 0.000000 1.300000 1.300000 835 THR CG2 CT -0.243800 -0.051200 0.318500 1.700000 1.700000 836 THR HG21 HC 0.064200 0.000000 0.000000 1.300000 1.300000 837 THR HG22 HC 0.064200 0.000000 0.000000 1.300000 1.300000 838 THR HG23 HC 0.064200 0.000000 0.000000 1.300000 1.300000 839 THR OG1 OH -0.676100 -0.265900 0.103800 1.500000 1.500000 840 THR HG1 HO 0.410200 0.000000 0.000000 0.800000 0.800000 841 THR C C 0.597300 0.597300 -0.163600 1.700000 1.700000 842 THR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 843 PRO N N -0.254800 -0.254800 0.477400 1.550000 1.550000 844 PRO CD CT 0.019200 0.097400 -0.095900 1.700000 1.700000 845 PRO HD2 H1 0.039100 0.000000 0.000000 1.300000 1.300000 846 PRO HD3 H1 0.039100 0.000000 0.000000 1.300000 1.300000 847 PRO CG CT 0.018900 0.061500 0.202500 1.700000 1.700000 848 PRO HG2 HC 0.021300 0.000000 0.000000 1.300000 1.300000 849 PRO HG3 HC 0.021300 0.000000 0.000000 1.300000 1.300000 850 PRO CB CT -0.007000 0.043600 0.142600 1.700000 1.700000 851 PRO HB2 HC 0.025300 0.000000 0.000000 1.300000 1.300000 852 PRO HB3 HC 0.025300 0.000000 0.000000 1.300000 1.300000 853 PRO CA CT -0.026600 0.037500 0.415900 1.700000 1.700000 854 PRO HA H1 0.064100 0.000000 0.000000 1.300000 1.300000 855 PRO C C 0.589600 0.589600 -0.202500 1.700000 1.700000 856 PRO O O -0.574800 -0.574800 0.014800 1.500000 1.500000 857 PRO N N -0.254800 -0.254800 0.469700 1.550000 1.550000 858 PRO CD CT 0.019200 0.097400 -0.095900 1.700000 1.700000 859 PRO HD2 H1 0.039100 0.000000 0.000000 1.300000 1.300000 860 PRO HD3 H1 0.039100 0.000000 0.000000 1.300000 1.300000 861 PRO CG CT 0.018900 0.061500 0.202500 1.700000 1.700000 862 PRO HG2 HC 0.021300 0.000000 0.000000 1.300000 1.300000 863 PRO HG3 HC 0.021300 0.000000 0.000000 1.300000 1.300000 864 PRO CB CT -0.007000 0.043600 0.142600 1.700000 1.700000 865 PRO HB2 HC 0.025300 0.000000 0.000000 1.300000 1.300000 866 PRO HB3 HC 0.025300 0.000000 0.000000 1.300000 1.300000 867 PRO CA CT -0.026600 0.037500 0.415900 1.700000 1.700000 868 PRO HA H1 0.064100 0.000000 0.000000 1.300000 1.300000 869 PRO C C 0.589600 0.589600 -0.202500 1.700000 1.700000 870 PRO O O -0.574800 -0.574800 0.014800 1.500000 1.500000 871 PRO N N -0.254800 -0.254800 0.469700 1.550000 1.550000 872 PRO CD CT 0.019200 0.097400 -0.095900 1.700000 1.700000 873 PRO HD2 H1 0.039100 0.000000 0.000000 1.300000 1.300000 874 PRO HD3 H1 0.039100 0.000000 0.000000 1.300000 1.300000 875 PRO CG CT 0.018900 0.061500 0.202500 1.700000 1.700000 876 PRO HG2 HC 0.021300 0.000000 0.000000 1.300000 1.300000 877 PRO HG3 HC 0.021300 0.000000 0.000000 1.300000 1.300000 878 PRO CB CT -0.007000 0.043600 0.142600 1.700000 1.700000 879 PRO HB2 HC 0.025300 0.000000 0.000000 1.300000 1.300000 880 PRO HB3 HC 0.025300 0.000000 0.000000 1.300000 1.300000 881 PRO CA CT -0.026600 0.037500 0.415900 1.700000 1.700000 882 PRO HA H1 0.064100 0.000000 0.000000 1.300000 1.300000 883 PRO C C 0.589600 0.589600 -0.091500 1.700000 1.700000 884 PRO O O -0.574800 -0.574800 0.014800 1.500000 1.500000 885 GLY N N -0.415700 -0.143800 0.560200 1.550000 1.550000 886 GLY H H 0.271900 0.000000 0.000000 1.300000 1.300000 887 GLY CA CT -0.025200 0.114400 0.567900 1.700000 1.700000 888 GLY HA2 H1 0.069800 0.000000 0.000000 1.300000 1.300000 889 GLY HA3 H1 0.069800 0.000000 0.000000 1.300000 1.300000 890 GLY C C 0.597300 0.597300 0.000000 1.700000 1.700000 891 GLY O O -0.567900 -0.567900 0.029400 1.500000 1.500000 892 THR N N -0.415700 -0.143800 0.515300 1.550000 1.550000 893 THR H H 0.271900 0.000000 0.000000 1.300000 1.300000 894 THR CA CT -0.038900 0.061800 0.885000 1.700000 1.700000 895 THR HA H1 0.100700 0.000000 0.000000 1.300000 1.300000 896 THR CB CT 0.365400 0.369700 0.114400 1.700000 1.700000 897 THR HB H1 0.004300 0.000000 0.000000 1.300000 1.300000 898 THR CG2 CT -0.243800 -0.051200 0.318500 1.700000 1.700000 899 THR HG21 HC 0.064200 0.000000 0.000000 1.300000 1.300000 900 THR HG22 HC 0.064200 0.000000 0.000000 1.300000 1.300000 901 THR HG23 HC 0.064200 0.000000 0.000000 1.300000 1.300000 902 THR OG1 OH -0.676100 -0.265900 0.103800 1.500000 1.500000 903 THR HG1 HO 0.410200 0.000000 0.000000 0.800000 0.800000 904 THR C C 0.597300 0.597300 0.018000 1.700000 1.700000 905 THR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 906 ARG N N -0.347900 -0.073200 0.416400 1.550000 1.550000 907 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 908 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 909 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 910 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 911 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 912 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 913 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 914 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 915 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 916 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 917 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 918 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 919 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 920 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 921 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 922 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 923 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 924 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 925 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 926 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 927 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 928 ARG C C 0.734100 0.734100 -0.106800 1.700000 1.700000 929 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 930 VAL N N -0.415700 -0.143800 0.599700 1.550000 1.550000 931 VAL H H 0.271900 0.000000 0.000000 1.300000 1.300000 932 VAL CA CT -0.087500 0.009400 0.731700 1.700000 1.700000 933 VAL HA H1 0.096900 0.000000 0.000000 1.300000 1.300000 934 VAL CB CT 0.298500 0.268800 0.114400 1.700000 1.700000 935 VAL HB HC -0.029700 0.000000 0.000000 1.300000 1.300000 936 VAL CG1 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 937 VAL HG11 HC 0.079100 0.000000 0.000000 1.300000 1.300000 938 VAL HG12 HC 0.079100 0.000000 0.000000 1.300000 1.300000 939 VAL HG13 HC 0.079100 0.000000 0.000000 1.300000 1.300000 940 VAL CG2 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 941 VAL HG21 HC 0.079100 0.000000 0.000000 1.300000 1.300000 942 VAL HG22 HC 0.079100 0.000000 0.000000 1.300000 1.300000 943 VAL HG23 HC 0.079100 0.000000 0.000000 1.300000 1.300000 944 VAL C C 0.597300 0.597300 -0.034400 1.700000 1.700000 945 VAL O O -0.567900 -0.567900 0.029400 1.500000 1.500000 946 ARG N N -0.347900 -0.073200 0.416400 1.550000 1.550000 947 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 948 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 949 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 950 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 951 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 952 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 953 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 954 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 955 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 956 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 957 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 958 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 959 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 960 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 961 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 962 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 963 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 964 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 965 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 966 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 967 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 968 ARG C C 0.734100 0.734100 -0.106800 1.700000 1.700000 969 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 970 ALA N N -0.415700 -0.143800 0.706300 1.550000 1.550000 971 ALA H H 0.271900 0.000000 0.000000 1.300000 1.300000 972 ALA CA CT 0.033700 0.116000 0.567900 1.700000 1.700000 973 ALA HA H1 0.082300 0.000000 0.000000 1.300000 1.300000 974 ALA CB CT -0.182500 -0.001600 0.114400 1.700000 1.700000 975 ALA HB1 HC 0.060300 0.000000 0.000000 1.300000 1.300000 976 ALA HB2 HC 0.060300 0.000000 0.000000 1.300000 1.300000 977 ALA HB3 HC 0.060300 0.000000 0.000000 1.300000 1.300000 978 ALA C C 0.597300 0.597300 0.001600 1.700000 1.700000 979 ALA O O -0.567900 -0.567900 0.029400 1.500000 1.500000 980 MET N N -0.415700 -0.143800 0.517800 1.550000 1.550000 981 MET H H 0.271900 0.000000 0.000000 1.300000 1.300000 982 MET CA CT -0.023700 0.064300 0.600200 1.700000 1.700000 983 MET HA H1 0.088000 0.000000 0.000000 1.300000 1.300000 984 MET CB CT 0.034200 0.082400 0.236500 1.700000 1.700000 985 MET HB2 HC 0.024100 0.000000 0.000000 1.300000 1.300000 986 MET HB3 HC 0.024100 0.000000 0.000000 1.300000 1.300000 987 MET CG CT 0.001800 0.089800 -0.101500 1.700000 1.700000 988 MET HG2 H1 0.044000 0.000000 0.000000 1.300000 1.300000 989 MET HG3 H1 0.044000 0.000000 0.000000 1.300000 1.300000 990 MET SD S -0.273700 -0.273700 -0.032300 1.800000 1.800000 991 MET CE CT -0.053600 0.151600 -0.122100 1.700000 1.700000 992 MET HE1 H1 0.068400 0.000000 0.000000 1.300000 1.300000 993 MET HE2 H1 0.068400 0.000000 0.000000 1.300000 1.300000 994 MET HE3 H1 0.068400 0.000000 0.000000 1.300000 1.300000 995 MET C C 0.597300 0.597300 -0.050100 1.700000 1.700000 996 MET O O -0.567900 -0.567900 0.029400 1.500000 1.500000 997 ALA N N -0.415700 -0.143800 0.569500 1.550000 1.550000 998 ALA H H 0.271900 0.000000 0.000000 1.300000 1.300000 999 ALA CA CT 0.033700 0.116000 0.567900 1.700000 1.700000 1000 ALA HA H1 0.082300 0.000000 0.000000 1.300000 1.300000 1001 ALA CB CT -0.182500 -0.001600 0.114400 1.700000 1.700000 1002 ALA HB1 HC 0.060300 0.000000 0.000000 1.300000 1.300000 1003 ALA HB2 HC 0.060300 0.000000 0.000000 1.300000 1.300000 1004 ALA HB3 HC 0.060300 0.000000 0.000000 1.300000 1.300000 1005 ALA C C 0.597300 0.597300 0.001600 1.700000 1.700000 1006 ALA O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1007 ILE N N -0.415700 -0.143800 0.480700 1.550000 1.550000 1008 ILE H H 0.271900 0.000000 0.000000 1.300000 1.300000 1009 ILE CA CT -0.059700 0.027200 0.629700 1.700000 1.700000 1010 ILE HA H1 0.086900 0.000000 0.000000 1.300000 1.300000 1011 ILE CB CT 0.130300 0.149000 0.124600 1.700000 1.700000 1012 ILE HB HC 0.018700 0.000000 0.000000 1.300000 1.300000 1013 ILE CG2 CT -0.320400 -0.055800 0.093200 1.700000 1.700000 1014 ILE HG21 HC 0.088200 0.000000 0.000000 1.300000 1.300000 1015 ILE HG22 HC 0.088200 0.000000 0.000000 1.300000 1.300000 1016 ILE HG23 HC 0.088200 0.000000 0.000000 1.300000 1.300000 1017 ILE CG1 CT -0.043000 0.004200 0.143000 1.700000 1.700000 1018 ILE HG12 HC 0.023600 0.000000 0.000000 1.300000 1.300000 1019 ILE HG13 HC 0.023600 0.000000 0.000000 1.300000 1.300000 1020 ILE CD1 CT -0.066000 -0.010200 -0.006000 1.700000 1.700000 1021 ILE HD11 HC 0.018600 0.000000 0.000000 1.300000 1.300000 1022 ILE HD12 HC 0.018600 0.000000 0.000000 1.300000 1.300000 1023 ILE HD13 HC 0.018600 0.000000 0.000000 1.300000 1.300000 1024 ILE C C 0.597300 0.597300 -0.087200 1.700000 1.700000 1025 ILE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1026 TYR N N -0.415700 -0.143800 0.539700 1.550000 1.550000 1027 TYR H H 0.271900 0.000000 0.000000 1.300000 1.300000 1028 TYR CA CT -0.001400 0.086200 0.583500 1.700000 1.700000 1029 TYR HA H1 0.087600 0.000000 0.000000 1.300000 1.300000 1030 TYR CB CT -0.015200 0.043800 0.128900 1.700000 1.700000 1031 TYR HB2 HC 0.029500 0.000000 0.000000 1.300000 1.300000 1032 TYR HB3 HC 0.029500 0.000000 0.000000 1.300000 1.300000 1033 TYR CG CA -0.001100 -0.001100 0.001300 1.700000 1.700000 1034 TYR CD1 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 1035 TYR HD1 HA 0.169900 0.000000 0.000000 1.300000 1.300000 1036 TYR CE1 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 1037 TYR HE1 HA 0.165600 0.000000 0.000000 1.300000 1.300000 1038 TYR CZ C 0.322600 0.322600 0.026900 1.700000 1.700000 1039 TYR OH OH -0.557900 -0.158700 0.163900 1.500000 1.500000 1040 TYR HH HO 0.399200 0.000000 0.000000 0.800000 0.800000 1041 TYR CE2 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 1042 TYR HE2 HA 0.165600 0.000000 0.000000 1.300000 1.300000 1043 TYR CD2 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 1044 TYR HD2 HA 0.169900 0.000000 0.000000 1.300000 1.300000 1045 TYR C C 0.597300 0.597300 0.042400 1.700000 1.700000 1046 TYR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1047 LYS N N -0.347900 -0.073200 0.426700 1.550000 1.550000 1048 LYS H H 0.274700 0.000000 0.000000 1.300000 1.300000 1049 LYS CA CT -0.240000 -0.097400 0.626500 1.700000 1.700000 1050 LYS HA H1 0.142600 0.000000 0.000000 1.300000 1.300000 1051 LYS CB CT -0.009400 0.063000 0.004900 1.700000 1.700000 1052 LYS HB2 HC 0.036200 0.000000 0.000000 1.300000 1.300000 1053 LYS HB3 HC 0.036200 0.000000 0.000000 1.300000 1.300000 1054 LYS CG CT 0.018700 0.039300 0.178600 1.700000 1.700000 1055 LYS HG2 HC 0.010300 0.000000 0.000000 1.300000 1.300000 1056 LYS HG3 HC 0.010300 0.000000 0.000000 1.300000 1.300000 1057 LYS CD CT -0.047900 0.076300 0.328300 1.700000 1.700000 1058 LYS HD2 HC 0.062100 0.000000 0.000000 1.300000 1.300000 1059 LYS HD3 HC 0.062100 0.000000 0.000000 1.300000 1.300000 1060 LYS CE CT -0.014300 0.212700 0.923600 1.700000 1.700000 1061 LYS HE2 HP 0.113500 0.000000 0.000000 1.300000 1.300000 1062 LYS HE3 HP 0.113500 0.000000 0.000000 1.300000 1.300000 1063 LYS NZ N3 -0.385400 0.634600 0.847300 1.550000 1.550000 1064 LYS HZ1 H 0.340000 0.000000 0.000000 1.300000 1.300000 1065 LYS HZ2 H 0.340000 0.000000 0.000000 1.300000 1.300000 1066 LYS HZ3 H 0.340000 0.000000 0.000000 1.300000 1.300000 1067 LYS C C 0.734100 0.734100 -0.096500 1.700000 1.700000 1068 LYS O O -0.589400 -0.589400 0.144700 1.500000 1.500000 1069 GLN N N -0.415700 -0.143800 0.672200 1.550000 1.550000 1070 GLN H H 0.271900 0.000000 0.000000 1.300000 1.300000 1071 GLN CA CT -0.003100 0.081900 0.566000 1.700000 1.700000 1072 GLN HA H1 0.085000 0.000000 0.000000 1.300000 1.300000 1073 GLN CB CT -0.003600 0.030600 0.118400 1.700000 1.700000 1074 GLN HB2 HC 0.017100 0.000000 0.000000 1.300000 1.300000 1075 GLN HB3 HC 0.017100 0.000000 0.000000 1.300000 1.300000 1076 GLN CG CT -0.064500 0.005900 0.731600 1.700000 1.700000 1077 GLN HG2 HC 0.035200 0.000000 0.000000 1.300000 1.300000 1078 GLN HG3 HC 0.035200 0.000000 0.000000 1.300000 1.300000 1079 GLN CD C 0.695100 0.695100 0.001900 1.700000 1.700000 1080 GLN OE1 O -0.608600 -0.608600 0.086500 1.500000 1.500000 1081 GLN NE2 N -0.940700 -0.090500 0.604600 1.550000 1.550000 1082 GLN HE21 H 0.425100 0.000000 0.000000 1.300000 1.300000 1083 GLN HE22 H 0.425100 0.000000 0.000000 1.300000 1.300000 1084 GLN C C 0.597300 0.597300 -0.032500 1.700000 1.700000 1085 GLN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1086 SER N N -0.415700 -0.143800 0.512900 1.550000 1.550000 1087 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 1088 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 1089 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 1090 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 1091 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 1092 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 1093 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 1094 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 1095 SER C C 0.597300 0.597300 -0.055000 1.700000 1.700000 1096 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1097 GLN N N -0.415700 -0.143800 0.535400 1.550000 1.550000 1098 GLN H H 0.271900 0.000000 0.000000 1.300000 1.300000 1099 GLN CA CT -0.003100 0.081900 0.566000 1.700000 1.700000 1100 GLN HA H1 0.085000 0.000000 0.000000 1.300000 1.300000 1101 GLN CB CT -0.003600 0.030600 0.118400 1.700000 1.700000 1102 GLN HB2 HC 0.017100 0.000000 0.000000 1.300000 1.300000 1103 GLN HB3 HC 0.017100 0.000000 0.000000 1.300000 1.300000 1104 GLN CG CT -0.064500 0.005900 0.731600 1.700000 1.700000 1105 GLN HG2 HC 0.035200 0.000000 0.000000 1.300000 1.300000 1106 GLN HG3 HC 0.035200 0.000000 0.000000 1.300000 1.300000 1107 GLN CD C 0.695100 0.695100 0.001900 1.700000 1.700000 1108 GLN OE1 O -0.608600 -0.608600 0.086500 1.500000 1.500000 1109 GLN NE2 N -0.940700 -0.090500 0.604600 1.550000 1.550000 1110 GLN HE21 H 0.425100 0.000000 0.000000 1.300000 1.300000 1111 GLN HE22 H 0.425100 0.000000 0.000000 1.300000 1.300000 1112 GLN C C 0.597300 0.597300 -0.032500 1.700000 1.700000 1113 GLN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1114 HIE N N -0.415700 -0.143800 0.531400 1.550000 1.550000 1115 HIE H H 0.271900 0.000000 0.000000 1.300000 1.300000 1116 HIE CA CT -0.058100 0.077900 0.597400 1.700000 1.700000 1117 HIE HA H1 0.136000 0.000000 0.000000 1.300000 1.300000 1118 HIE CB CT -0.007400 0.066000 0.330700 1.700000 1.700000 1119 HIE HB2 HC 0.036700 0.000000 0.000000 1.300000 1.300000 1120 HIE HB3 HC 0.036700 0.000000 0.000000 1.300000 1.300000 1121 HIE CG CC 0.186800 0.186800 -0.324900 1.700000 1.700000 1122 HIE ND1 NB -0.543200 -0.543200 -0.049400 1.550000 1.550000 1123 HIE CE1 CR 0.163500 0.307000 -0.181800 1.700000 1.700000 1124 HIE HE1 H5 0.143500 0.000000 0.000000 1.300000 1.300000 1125 HIE NE2 NA -0.279500 0.054400 0.326900 1.550000 1.550000 1126 HIE HE2 H 0.333900 0.000000 0.000000 1.300000 1.300000 1127 HIE CD2 CW -0.220700 -0.034500 0.206700 1.700000 1.700000 1128 HIE HD2 H4 0.186200 0.000000 0.000000 1.300000 1.300000 1129 HIE C C 0.597300 0.597300 -0.036500 1.700000 1.700000 1130 HIE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1131 MET N N -0.415700 -0.143800 0.517800 1.550000 1.550000 1132 MET H H 0.271900 0.000000 0.000000 1.300000 1.300000 1133 MET CA CT -0.023700 0.064300 0.600200 1.700000 1.700000 1134 MET HA H1 0.088000 0.000000 0.000000 1.300000 1.300000 1135 MET CB CT 0.034200 0.082400 0.236500 1.700000 1.700000 1136 MET HB2 HC 0.024100 0.000000 0.000000 1.300000 1.300000 1137 MET HB3 HC 0.024100 0.000000 0.000000 1.300000 1.300000 1138 MET CG CT 0.001800 0.089800 -0.101500 1.700000 1.700000 1139 MET HG2 H1 0.044000 0.000000 0.000000 1.300000 1.300000 1140 MET HG3 H1 0.044000 0.000000 0.000000 1.300000 1.300000 1141 MET SD S -0.273700 -0.273700 -0.032300 1.800000 1.800000 1142 MET CE CT -0.053600 0.151600 -0.122100 1.700000 1.700000 1143 MET HE1 H1 0.068400 0.000000 0.000000 1.300000 1.300000 1144 MET HE2 H1 0.068400 0.000000 0.000000 1.300000 1.300000 1145 MET HE3 H1 0.068400 0.000000 0.000000 1.300000 1.300000 1146 MET C C 0.597300 0.597300 -0.050100 1.700000 1.700000 1147 MET O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1148 THR N N -0.415700 -0.143800 0.515300 1.550000 1.550000 1149 THR H H 0.271900 0.000000 0.000000 1.300000 1.300000 1150 THR CA CT -0.038900 0.061800 0.885000 1.700000 1.700000 1151 THR HA H1 0.100700 0.000000 0.000000 1.300000 1.300000 1152 THR CB CT 0.365400 0.369700 0.114400 1.700000 1.700000 1153 THR HB H1 0.004300 0.000000 0.000000 1.300000 1.300000 1154 THR CG2 CT -0.243800 -0.051200 0.318500 1.700000 1.700000 1155 THR HG21 HC 0.064200 0.000000 0.000000 1.300000 1.300000 1156 THR HG22 HC 0.064200 0.000000 0.000000 1.300000 1.300000 1157 THR HG23 HC 0.064200 0.000000 0.000000 1.300000 1.300000 1158 THR OG1 OH -0.676100 -0.265900 0.103800 1.500000 1.500000 1159 THR HG1 HO 0.410200 0.000000 0.000000 0.800000 0.800000 1160 THR C C 0.597300 0.597300 -0.131500 1.700000 1.700000 1161 THR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1162 GLU N N -0.516300 -0.222700 0.524800 1.550000 1.550000 1163 GLU H H 0.293600 0.000000 0.000000 1.300000 1.300000 1164 GLU CA CT 0.039700 0.150200 0.485500 1.700000 1.700000 1165 GLU HA H1 0.110500 0.000000 0.000000 1.300000 1.300000 1166 GLU CB CT 0.056000 0.021400 0.100200 1.700000 1.700000 1167 GLU HB2 HC -0.017300 0.000000 0.000000 1.300000 1.300000 1168 GLU HB3 HC -0.017300 0.000000 0.000000 1.300000 1.300000 1169 GLU CG CT 0.013600 -0.071400 0.755400 1.700000 1.700000 1170 GLU HG2 HC -0.042500 0.000000 0.000000 1.300000 1.300000 1171 GLU HG3 HC -0.042500 0.000000 0.000000 1.300000 1.300000 1172 GLU CD C 0.805400 0.805400 -0.903600 1.700000 1.700000 1173 GLU OE1 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 1174 GLU OE2 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 1175 GLU C C 0.536600 0.536600 -0.038900 1.700000 1.700000 1176 GLU O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 1177 VAL N N -0.415700 -0.143800 0.402200 1.550000 1.550000 1178 VAL H H 0.271900 0.000000 0.000000 1.300000 1.300000 1179 VAL CA CT -0.087500 0.009400 0.731700 1.700000 1.700000 1180 VAL HA H1 0.096900 0.000000 0.000000 1.300000 1.300000 1181 VAL CB CT 0.298500 0.268800 0.114400 1.700000 1.700000 1182 VAL HB HC -0.029700 0.000000 0.000000 1.300000 1.300000 1183 VAL CG1 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 1184 VAL HG11 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1185 VAL HG12 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1186 VAL HG13 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1187 VAL CG2 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 1188 VAL HG21 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1189 VAL HG22 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1190 VAL HG23 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1191 VAL C C 0.597300 0.597300 -0.105000 1.700000 1.700000 1192 VAL O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1193 VAL N N -0.415700 -0.143800 0.462900 1.550000 1.550000 1194 VAL H H 0.271900 0.000000 0.000000 1.300000 1.300000 1195 VAL CA CT -0.087500 0.009400 0.731700 1.700000 1.700000 1196 VAL HA H1 0.096900 0.000000 0.000000 1.300000 1.300000 1197 VAL CB CT 0.298500 0.268800 0.114400 1.700000 1.700000 1198 VAL HB HC -0.029700 0.000000 0.000000 1.300000 1.300000 1199 VAL CG1 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 1200 VAL HG11 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1201 VAL HG12 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1202 VAL HG13 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1203 VAL CG2 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 1204 VAL HG21 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1205 VAL HG22 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1206 VAL HG23 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1207 VAL C C 0.597300 0.597300 -0.034400 1.700000 1.700000 1208 VAL O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1209 ARG N N -0.347900 -0.073200 0.416400 1.550000 1.550000 1210 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 1211 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 1212 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 1213 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 1214 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 1215 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 1216 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 1217 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 1218 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 1219 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 1220 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 1221 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 1222 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 1223 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 1224 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 1225 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 1226 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 1227 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 1228 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 1229 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 1230 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 1231 ARG C C 0.734100 0.734100 -0.036200 1.700000 1.700000 1232 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 1233 ARG N N -0.347900 -0.073200 0.553200 1.550000 1.550000 1234 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 1235 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 1236 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 1237 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 1238 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 1239 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 1240 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 1241 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 1242 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 1243 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 1244 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 1245 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 1246 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 1247 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 1248 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 1249 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 1250 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 1251 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 1252 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 1253 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 1254 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 1255 ARG C C 0.734100 0.734100 -0.106800 1.700000 1.700000 1256 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 1257 CYS N N -0.415700 -0.143800 0.724000 1.550000 1.550000 1258 CYS H H 0.271900 0.000000 0.000000 1.300000 1.300000 1259 CYS CA CT 0.021300 0.133700 0.686500 1.700000 1.700000 1260 CYS HA H1 0.112400 0.000000 0.000000 1.300000 1.300000 1261 CYS CB CT -0.123100 0.099300 0.114400 1.700000 1.700000 1262 CYS HB2 H1 0.111200 0.000000 0.000000 1.300000 1.300000 1263 CYS HB3 H1 0.111200 0.000000 0.000000 1.300000 1.300000 1264 CYS SG SH -0.311900 -0.118600 -0.019300 1.800000 1.800000 1265 CYS HG HS 0.193300 0.000000 0.000000 0.800000 0.800000 1266 CYS C C 0.597300 0.597300 -0.091700 1.700000 1.700000 1267 CYS O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1268 PRO N N -0.254800 -0.254800 0.477400 1.550000 1.550000 1269 PRO CD CT 0.019200 0.097400 -0.095900 1.700000 1.700000 1270 PRO HD2 H1 0.039100 0.000000 0.000000 1.300000 1.300000 1271 PRO HD3 H1 0.039100 0.000000 0.000000 1.300000 1.300000 1272 PRO CG CT 0.018900 0.061500 0.202500 1.700000 1.700000 1273 PRO HG2 HC 0.021300 0.000000 0.000000 1.300000 1.300000 1274 PRO HG3 HC 0.021300 0.000000 0.000000 1.300000 1.300000 1275 PRO CB CT -0.007000 0.043600 0.142600 1.700000 1.700000 1276 PRO HB2 HC 0.025300 0.000000 0.000000 1.300000 1.300000 1277 PRO HB3 HC 0.025300 0.000000 0.000000 1.300000 1.300000 1278 PRO CA CT -0.026600 0.037500 0.415900 1.700000 1.700000 1279 PRO HA H1 0.064100 0.000000 0.000000 1.300000 1.300000 1280 PRO C C 0.589600 0.589600 -0.091500 1.700000 1.700000 1281 PRO O O -0.574800 -0.574800 0.014800 1.500000 1.500000 1282 HIE N N -0.415700 -0.143800 0.523700 1.550000 1.550000 1283 HIE H H 0.271900 0.000000 0.000000 1.300000 1.300000 1284 HIE CA CT -0.058100 0.077900 0.597400 1.700000 1.700000 1285 HIE HA H1 0.136000 0.000000 0.000000 1.300000 1.300000 1286 HIE CB CT -0.007400 0.066000 0.330700 1.700000 1.700000 1287 HIE HB2 HC 0.036700 0.000000 0.000000 1.300000 1.300000 1288 HIE HB3 HC 0.036700 0.000000 0.000000 1.300000 1.300000 1289 HIE CG CC 0.186800 0.186800 -0.324900 1.700000 1.700000 1290 HIE ND1 NB -0.543200 -0.543200 -0.049400 1.550000 1.550000 1291 HIE CE1 CR 0.163500 0.307000 -0.181800 1.700000 1.700000 1292 HIE HE1 H5 0.143500 0.000000 0.000000 1.300000 1.300000 1293 HIE NE2 NA -0.279500 0.054400 0.326900 1.550000 1.550000 1294 HIE HE2 H 0.333900 0.000000 0.000000 1.300000 1.300000 1295 HIE CD2 CW -0.220700 -0.034500 0.206700 1.700000 1.700000 1296 HIE HD2 H4 0.186200 0.000000 0.000000 1.300000 1.300000 1297 HIE C C 0.597300 0.597300 -0.036500 1.700000 1.700000 1298 HIE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1299 HIE N N -0.415700 -0.143800 0.531400 1.550000 1.550000 1300 HIE H H 0.271900 0.000000 0.000000 1.300000 1.300000 1301 HIE CA CT -0.058100 0.077900 0.597400 1.700000 1.700000 1302 HIE HA H1 0.136000 0.000000 0.000000 1.300000 1.300000 1303 HIE CB CT -0.007400 0.066000 0.330700 1.700000 1.700000 1304 HIE HB2 HC 0.036700 0.000000 0.000000 1.300000 1.300000 1305 HIE HB3 HC 0.036700 0.000000 0.000000 1.300000 1.300000 1306 HIE CG CC 0.186800 0.186800 -0.324900 1.700000 1.700000 1307 HIE ND1 NB -0.543200 -0.543200 -0.049400 1.550000 1.550000 1308 HIE CE1 CR 0.163500 0.307000 -0.181800 1.700000 1.700000 1309 HIE HE1 H5 0.143500 0.000000 0.000000 1.300000 1.300000 1310 HIE NE2 NA -0.279500 0.054400 0.326900 1.550000 1.550000 1311 HIE HE2 H 0.333900 0.000000 0.000000 1.300000 1.300000 1312 HIE CD2 CW -0.220700 -0.034500 0.206700 1.700000 1.700000 1313 HIE HD2 H4 0.186200 0.000000 0.000000 1.300000 1.300000 1314 HIE C C 0.597300 0.597300 -0.115400 1.700000 1.700000 1315 HIE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1316 GLU N N -0.516300 -0.222700 0.524800 1.550000 1.550000 1317 GLU H H 0.293600 0.000000 0.000000 1.300000 1.300000 1318 GLU CA CT 0.039700 0.150200 0.485500 1.700000 1.700000 1319 GLU HA H1 0.110500 0.000000 0.000000 1.300000 1.300000 1320 GLU CB CT 0.056000 0.021400 0.100200 1.700000 1.700000 1321 GLU HB2 HC -0.017300 0.000000 0.000000 1.300000 1.300000 1322 GLU HB3 HC -0.017300 0.000000 0.000000 1.300000 1.300000 1323 GLU CG CT 0.013600 -0.071400 0.755400 1.700000 1.700000 1324 GLU HG2 HC -0.042500 0.000000 0.000000 1.300000 1.300000 1325 GLU HG3 HC -0.042500 0.000000 0.000000 1.300000 1.300000 1326 GLU CD C 0.805400 0.805400 -0.903600 1.700000 1.700000 1327 GLU OE1 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 1328 GLU OE2 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 1329 GLU C C 0.536600 0.536600 0.031700 1.700000 1.700000 1330 GLU O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 1331 ARG N N -0.347900 -0.073200 0.355700 1.550000 1.550000 1332 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 1333 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 1334 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 1335 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 1336 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 1337 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 1338 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 1339 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 1340 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 1341 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 1342 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 1343 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 1344 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 1345 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 1346 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 1347 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 1348 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 1349 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 1350 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 1351 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 1352 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 1353 ARG C C 0.734100 0.734100 -0.106800 1.700000 1.700000 1354 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 1355 CYS N N -0.415700 -0.143800 0.724000 1.550000 1.550000 1356 CYS H H 0.271900 0.000000 0.000000 1.300000 1.300000 1357 CYS CA CT 0.021300 0.133700 0.686500 1.700000 1.700000 1358 CYS HA H1 0.112400 0.000000 0.000000 1.300000 1.300000 1359 CYS CB CT -0.123100 0.099300 0.114400 1.700000 1.700000 1360 CYS HB2 H1 0.111200 0.000000 0.000000 1.300000 1.300000 1361 CYS HB3 H1 0.111200 0.000000 0.000000 1.300000 1.300000 1362 CYS SG SH -0.311900 -0.118600 -0.019300 1.800000 1.800000 1363 CYS HG HS 0.193300 0.000000 0.000000 0.800000 0.800000 1364 CYS C C 0.597300 0.597300 0.019300 1.700000 1.700000 1365 CYS O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1366 SER N N -0.415700 -0.143800 0.512900 1.550000 1.550000 1367 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 1368 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 1369 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 1370 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 1371 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 1372 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 1373 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 1374 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 1375 SER C C 0.597300 0.597300 -0.133900 1.700000 1.700000 1376 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1377 ASP N N -0.516300 -0.222700 0.500700 1.550000 1.550000 1378 ASP H H 0.293600 0.000000 0.000000 1.300000 1.300000 1379 ASP CA CT 0.038100 0.126100 0.385300 1.700000 1.700000 1380 ASP HA H1 0.088000 0.000000 0.000000 1.300000 1.300000 1381 ASP CB CT -0.030300 -0.054700 0.870800 1.700000 1.700000 1382 ASP HB2 HC -0.012200 0.000000 0.000000 1.300000 1.300000 1383 ASP HB3 HC -0.012200 0.000000 0.000000 1.300000 1.300000 1384 ASP CG C 0.799400 0.799400 -0.858100 1.700000 1.700000 1385 ASP OD1 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 1386 ASP OD2 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 1387 ASP C C 0.536600 0.536600 -0.063000 1.700000 1.700000 1388 ASP O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 1389 SER N N -0.415700 -0.143800 0.452200 1.550000 1.550000 1390 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 1391 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 1392 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 1393 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 1394 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 1395 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 1396 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 1397 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 1398 SER C C 0.597300 0.597300 -0.133900 1.700000 1.700000 1399 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1400 ASP N N -0.516300 -0.222700 0.500700 1.550000 1.550000 1401 ASP H H 0.293600 0.000000 0.000000 1.300000 1.300000 1402 ASP CA CT 0.038100 0.126100 0.385300 1.700000 1.700000 1403 ASP HA H1 0.088000 0.000000 0.000000 1.300000 1.300000 1404 ASP CB CT -0.030300 -0.054700 0.870800 1.700000 1.700000 1405 ASP HB2 HC -0.012200 0.000000 0.000000 1.300000 1.300000 1406 ASP HB3 HC -0.012200 0.000000 0.000000 1.300000 1.300000 1407 ASP CG C 0.799400 0.799400 -0.858100 1.700000 1.700000 1408 ASP OD1 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 1409 ASP OD2 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 1410 ASP C C 0.536600 0.536600 -0.063000 1.700000 1.700000 1411 ASP O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 1412 GLY N N -0.415700 -0.143800 0.507200 1.550000 1.550000 1413 GLY H H 0.271900 0.000000 0.000000 1.300000 1.300000 1414 GLY CA CT -0.025200 0.114400 0.567900 1.700000 1.700000 1415 GLY HA2 H1 0.069800 0.000000 0.000000 1.300000 1.300000 1416 GLY HA3 H1 0.069800 0.000000 0.000000 1.300000 1.300000 1417 GLY C C 0.597300 0.597300 0.000000 1.700000 1.700000 1418 GLY O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1419 LEU N N -0.415700 -0.143800 0.493900 1.550000 1.550000 1420 LEU H H 0.271900 0.000000 0.000000 1.300000 1.300000 1421 LEU CA CT -0.051800 0.040400 0.475100 1.700000 1.700000 1422 LEU HA H1 0.092200 0.000000 0.000000 1.300000 1.300000 1423 LEU CB CT -0.110200 -0.018800 0.338600 1.700000 1.700000 1424 LEU HB2 HC 0.045700 0.000000 0.000000 1.300000 1.300000 1425 LEU HB3 HC 0.045700 0.000000 0.000000 1.300000 1.300000 1426 LEU CG CT 0.353100 0.317000 0.074000 1.700000 1.700000 1427 LEU HG HC -0.036100 0.000000 0.000000 1.300000 1.300000 1428 LEU CD1 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 1429 LEU HD11 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1430 LEU HD12 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1431 LEU HD13 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1432 LEU CD2 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 1433 LEU HD21 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1434 LEU HD22 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1435 LEU HD23 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1436 LEU C C 0.597300 0.597300 -0.074000 1.700000 1.700000 1437 LEU O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1438 ALA N N -0.415700 -0.143800 0.569500 1.550000 1.550000 1439 ALA H H 0.271900 0.000000 0.000000 1.300000 1.300000 1440 ALA CA CT 0.033700 0.116000 0.567900 1.700000 1.700000 1441 ALA HA H1 0.082300 0.000000 0.000000 1.300000 1.300000 1442 ALA CB CT -0.182500 -0.001600 0.114400 1.700000 1.700000 1443 ALA HB1 HC 0.060300 0.000000 0.000000 1.300000 1.300000 1444 ALA HB2 HC 0.060300 0.000000 0.000000 1.300000 1.300000 1445 ALA HB3 HC 0.060300 0.000000 0.000000 1.300000 1.300000 1446 ALA C C 0.597300 0.597300 -0.109400 1.700000 1.700000 1447 ALA O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1448 PRO N N -0.254800 -0.254800 0.477400 1.550000 1.550000 1449 PRO CD CT 0.019200 0.097400 -0.095900 1.700000 1.700000 1450 PRO HD2 H1 0.039100 0.000000 0.000000 1.300000 1.300000 1451 PRO HD3 H1 0.039100 0.000000 0.000000 1.300000 1.300000 1452 PRO CG CT 0.018900 0.061500 0.202500 1.700000 1.700000 1453 PRO HG2 HC 0.021300 0.000000 0.000000 1.300000 1.300000 1454 PRO HG3 HC 0.021300 0.000000 0.000000 1.300000 1.300000 1455 PRO CB CT -0.007000 0.043600 0.142600 1.700000 1.700000 1456 PRO HB2 HC 0.025300 0.000000 0.000000 1.300000 1.300000 1457 PRO HB3 HC 0.025300 0.000000 0.000000 1.300000 1.300000 1458 PRO CA CT -0.026600 0.037500 0.415900 1.700000 1.700000 1459 PRO HA H1 0.064100 0.000000 0.000000 1.300000 1.300000 1460 PRO C C 0.589600 0.589600 -0.202500 1.700000 1.700000 1461 PRO O O -0.574800 -0.574800 0.014800 1.500000 1.500000 1462 PRO N N -0.254800 -0.254800 0.469700 1.550000 1.550000 1463 PRO CD CT 0.019200 0.097400 -0.095900 1.700000 1.700000 1464 PRO HD2 H1 0.039100 0.000000 0.000000 1.300000 1.300000 1465 PRO HD3 H1 0.039100 0.000000 0.000000 1.300000 1.300000 1466 PRO CG CT 0.018900 0.061500 0.202500 1.700000 1.700000 1467 PRO HG2 HC 0.021300 0.000000 0.000000 1.300000 1.300000 1468 PRO HG3 HC 0.021300 0.000000 0.000000 1.300000 1.300000 1469 PRO CB CT -0.007000 0.043600 0.142600 1.700000 1.700000 1470 PRO HB2 HC 0.025300 0.000000 0.000000 1.300000 1.300000 1471 PRO HB3 HC 0.025300 0.000000 0.000000 1.300000 1.300000 1472 PRO CA CT -0.026600 0.037500 0.415900 1.700000 1.700000 1473 PRO HA H1 0.064100 0.000000 0.000000 1.300000 1.300000 1474 PRO C C 0.589600 0.589600 -0.091500 1.700000 1.700000 1475 PRO O O -0.574800 -0.574800 0.014800 1.500000 1.500000 1476 GLN N N -0.415700 -0.143800 0.527700 1.550000 1.550000 1477 GLN H H 0.271900 0.000000 0.000000 1.300000 1.300000 1478 GLN CA CT -0.003100 0.081900 0.566000 1.700000 1.700000 1479 GLN HA H1 0.085000 0.000000 0.000000 1.300000 1.300000 1480 GLN CB CT -0.003600 0.030600 0.118400 1.700000 1.700000 1481 GLN HB2 HC 0.017100 0.000000 0.000000 1.300000 1.300000 1482 GLN HB3 HC 0.017100 0.000000 0.000000 1.300000 1.300000 1483 GLN CG CT -0.064500 0.005900 0.731600 1.700000 1.700000 1484 GLN HG2 HC 0.035200 0.000000 0.000000 1.300000 1.300000 1485 GLN HG3 HC 0.035200 0.000000 0.000000 1.300000 1.300000 1486 GLN CD C 0.695100 0.695100 0.001900 1.700000 1.700000 1487 GLN OE1 O -0.608600 -0.608600 0.086500 1.500000 1.500000 1488 GLN NE2 N -0.940700 -0.090500 0.604600 1.550000 1.550000 1489 GLN HE21 H 0.425100 0.000000 0.000000 1.300000 1.300000 1490 GLN HE22 H 0.425100 0.000000 0.000000 1.300000 1.300000 1491 GLN C C 0.597300 0.597300 -0.032500 1.700000 1.700000 1492 GLN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1493 HIE N N -0.415700 -0.143800 0.531400 1.550000 1.550000 1494 HIE H H 0.271900 0.000000 0.000000 1.300000 1.300000 1495 HIE CA CT -0.058100 0.077900 0.597400 1.700000 1.700000 1496 HIE HA H1 0.136000 0.000000 0.000000 1.300000 1.300000 1497 HIE CB CT -0.007400 0.066000 0.330700 1.700000 1.700000 1498 HIE HB2 HC 0.036700 0.000000 0.000000 1.300000 1.300000 1499 HIE HB3 HC 0.036700 0.000000 0.000000 1.300000 1.300000 1500 HIE CG CC 0.186800 0.186800 -0.324900 1.700000 1.700000 1501 HIE ND1 NB -0.543200 -0.543200 -0.049400 1.550000 1.550000 1502 HIE CE1 CR 0.163500 0.307000 -0.181800 1.700000 1.700000 1503 HIE HE1 H5 0.143500 0.000000 0.000000 1.300000 1.300000 1504 HIE NE2 NA -0.279500 0.054400 0.326900 1.550000 1.550000 1505 HIE HE2 H 0.333900 0.000000 0.000000 1.300000 1.300000 1506 HIE CD2 CW -0.220700 -0.034500 0.206700 1.700000 1.700000 1507 HIE HD2 H4 0.186200 0.000000 0.000000 1.300000 1.300000 1508 HIE C C 0.597300 0.597300 -0.036500 1.700000 1.700000 1509 HIE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1510 LEU N N -0.415700 -0.143800 0.493900 1.550000 1.550000 1511 LEU H H 0.271900 0.000000 0.000000 1.300000 1.300000 1512 LEU CA CT -0.051800 0.040400 0.475100 1.700000 1.700000 1513 LEU HA H1 0.092200 0.000000 0.000000 1.300000 1.300000 1514 LEU CB CT -0.110200 -0.018800 0.338600 1.700000 1.700000 1515 LEU HB2 HC 0.045700 0.000000 0.000000 1.300000 1.300000 1516 LEU HB3 HC 0.045700 0.000000 0.000000 1.300000 1.300000 1517 LEU CG CT 0.353100 0.317000 0.074000 1.700000 1.700000 1518 LEU HG HC -0.036100 0.000000 0.000000 1.300000 1.300000 1519 LEU CD1 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 1520 LEU HD11 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1521 LEU HD12 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1522 LEU HD13 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1523 LEU CD2 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 1524 LEU HD21 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1525 LEU HD22 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1526 LEU HD23 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1527 LEU C C 0.597300 0.597300 -0.074000 1.700000 1.700000 1528 LEU O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1529 ILE N N -0.415700 -0.143800 0.480700 1.550000 1.550000 1530 ILE H H 0.271900 0.000000 0.000000 1.300000 1.300000 1531 ILE CA CT -0.059700 0.027200 0.629700 1.700000 1.700000 1532 ILE HA H1 0.086900 0.000000 0.000000 1.300000 1.300000 1533 ILE CB CT 0.130300 0.149000 0.124600 1.700000 1.700000 1534 ILE HB HC 0.018700 0.000000 0.000000 1.300000 1.300000 1535 ILE CG2 CT -0.320400 -0.055800 0.093200 1.700000 1.700000 1536 ILE HG21 HC 0.088200 0.000000 0.000000 1.300000 1.300000 1537 ILE HG22 HC 0.088200 0.000000 0.000000 1.300000 1.300000 1538 ILE HG23 HC 0.088200 0.000000 0.000000 1.300000 1.300000 1539 ILE CG1 CT -0.043000 0.004200 0.143000 1.700000 1.700000 1540 ILE HG12 HC 0.023600 0.000000 0.000000 1.300000 1.300000 1541 ILE HG13 HC 0.023600 0.000000 0.000000 1.300000 1.300000 1542 ILE CD1 CT -0.066000 -0.010200 -0.006000 1.700000 1.700000 1543 ILE HD11 HC 0.018600 0.000000 0.000000 1.300000 1.300000 1544 ILE HD12 HC 0.018600 0.000000 0.000000 1.300000 1.300000 1545 ILE HD13 HC 0.018600 0.000000 0.000000 1.300000 1.300000 1546 ILE C C 0.597300 0.597300 -0.016600 1.700000 1.700000 1547 ILE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1548 ARG N N -0.347900 -0.073200 0.416400 1.550000 1.550000 1549 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 1550 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 1551 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 1552 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 1553 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 1554 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 1555 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 1556 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 1557 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 1558 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 1559 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 1560 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 1561 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 1562 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 1563 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 1564 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 1565 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 1566 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 1567 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 1568 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 1569 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 1570 ARG C C 0.734100 0.734100 -0.106800 1.700000 1.700000 1571 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 1572 VAL N N -0.415700 -0.143800 0.599700 1.550000 1.550000 1573 VAL H H 0.271900 0.000000 0.000000 1.300000 1.300000 1574 VAL CA CT -0.087500 0.009400 0.731700 1.700000 1.700000 1575 VAL HA H1 0.096900 0.000000 0.000000 1.300000 1.300000 1576 VAL CB CT 0.298500 0.268800 0.114400 1.700000 1.700000 1577 VAL HB HC -0.029700 0.000000 0.000000 1.300000 1.300000 1578 VAL CG1 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 1579 VAL HG11 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1580 VAL HG12 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1581 VAL HG13 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1582 VAL CG2 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 1583 VAL HG21 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1584 VAL HG22 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1585 VAL HG23 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1586 VAL C C 0.597300 0.597300 -0.183900 1.700000 1.700000 1587 VAL O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1588 GLU N N -0.516300 -0.222700 0.524800 1.550000 1.550000 1589 GLU H H 0.293600 0.000000 0.000000 1.300000 1.300000 1590 GLU CA CT 0.039700 0.150200 0.485500 1.700000 1.700000 1591 GLU HA H1 0.110500 0.000000 0.000000 1.300000 1.300000 1592 GLU CB CT 0.056000 0.021400 0.100200 1.700000 1.700000 1593 GLU HB2 HC -0.017300 0.000000 0.000000 1.300000 1.300000 1594 GLU HB3 HC -0.017300 0.000000 0.000000 1.300000 1.300000 1595 GLU CG CT 0.013600 -0.071400 0.755400 1.700000 1.700000 1596 GLU HG2 HC -0.042500 0.000000 0.000000 1.300000 1.300000 1597 GLU HG3 HC -0.042500 0.000000 0.000000 1.300000 1.300000 1598 GLU CD C 0.805400 0.805400 -0.903600 1.700000 1.700000 1599 GLU OE1 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 1600 GLU OE2 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 1601 GLU C C 0.536600 0.536600 -0.038900 1.700000 1.700000 1602 GLU O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 1603 GLY N N -0.415700 -0.143800 0.507200 1.550000 1.550000 1604 GLY H H 0.271900 0.000000 0.000000 1.300000 1.300000 1605 GLY CA CT -0.025200 0.114400 0.567900 1.700000 1.700000 1606 GLY HA2 H1 0.069800 0.000000 0.000000 1.300000 1.300000 1607 GLY HA3 H1 0.069800 0.000000 0.000000 1.300000 1.300000 1608 GLY C C 0.597300 0.597300 0.000000 1.700000 1.700000 1609 GLY O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1610 ASN N N -0.415700 -0.143800 0.572600 1.550000 1.550000 1611 ASN H H 0.271900 0.000000 0.000000 1.300000 1.300000 1612 ASN CA CT 0.014300 0.119100 0.527900 1.700000 1.700000 1613 ASN HA H1 0.104800 0.000000 0.000000 1.300000 1.300000 1614 ASN CB CT -0.204100 -0.044700 0.787400 1.700000 1.700000 1615 ASN HB2 HC 0.079700 0.000000 0.000000 1.300000 1.300000 1616 ASN HB3 HC 0.079700 0.000000 0.000000 1.300000 1.300000 1617 ASN CG C 0.713000 0.713000 -0.004700 1.700000 1.700000 1618 ASN OD1 O -0.593100 -0.593100 0.119900 1.500000 1.500000 1619 ASN ND2 N -0.919100 -0.079900 0.633100 1.550000 1.550000 1620 ASN HD21 H 0.419600 0.000000 0.000000 1.300000 1.300000 1621 ASN HD22 H 0.419600 0.000000 0.000000 1.300000 1.300000 1622 ASN C C 0.597300 0.597300 0.004700 1.700000 1.700000 1623 ASN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1624 LEU N N -0.415700 -0.143800 0.493900 1.550000 1.550000 1625 LEU H H 0.271900 0.000000 0.000000 1.300000 1.300000 1626 LEU CA CT -0.051800 0.040400 0.475100 1.700000 1.700000 1627 LEU HA H1 0.092200 0.000000 0.000000 1.300000 1.300000 1628 LEU CB CT -0.110200 -0.018800 0.338600 1.700000 1.700000 1629 LEU HB2 HC 0.045700 0.000000 0.000000 1.300000 1.300000 1630 LEU HB3 HC 0.045700 0.000000 0.000000 1.300000 1.300000 1631 LEU CG CT 0.353100 0.317000 0.074000 1.700000 1.700000 1632 LEU HG HC -0.036100 0.000000 0.000000 1.300000 1.300000 1633 LEU CD1 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 1634 LEU HD11 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1635 LEU HD12 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1636 LEU HD13 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1637 LEU CD2 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 1638 LEU HD21 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1639 LEU HD22 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1640 LEU HD23 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1641 LEU C C 0.597300 0.597300 -0.003400 1.700000 1.700000 1642 LEU O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1643 ARG N N -0.347900 -0.073200 0.416400 1.550000 1.550000 1644 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 1645 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 1646 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 1647 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 1648 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 1649 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 1650 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 1651 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 1652 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 1653 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 1654 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 1655 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 1656 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 1657 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 1658 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 1659 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 1660 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 1661 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 1662 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 1663 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 1664 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 1665 ARG C C 0.734100 0.734100 -0.106800 1.700000 1.700000 1666 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 1667 VAL N N -0.415700 -0.143800 0.599700 1.550000 1.550000 1668 VAL H H 0.271900 0.000000 0.000000 1.300000 1.300000 1669 VAL CA CT -0.087500 0.009400 0.731700 1.700000 1.700000 1670 VAL HA H1 0.096900 0.000000 0.000000 1.300000 1.300000 1671 VAL CB CT 0.298500 0.268800 0.114400 1.700000 1.700000 1672 VAL HB HC -0.029700 0.000000 0.000000 1.300000 1.300000 1673 VAL CG1 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 1674 VAL HG11 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1675 VAL HG12 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1676 VAL HG13 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1677 VAL CG2 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 1678 VAL HG21 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1679 VAL HG22 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1680 VAL HG23 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1681 VAL C C 0.597300 0.597300 -0.183900 1.700000 1.700000 1682 VAL O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1683 GLU N N -0.516300 -0.222700 0.524800 1.550000 1.550000 1684 GLU H H 0.293600 0.000000 0.000000 1.300000 1.300000 1685 GLU CA CT 0.039700 0.150200 0.485500 1.700000 1.700000 1686 GLU HA H1 0.110500 0.000000 0.000000 1.300000 1.300000 1687 GLU CB CT 0.056000 0.021400 0.100200 1.700000 1.700000 1688 GLU HB2 HC -0.017300 0.000000 0.000000 1.300000 1.300000 1689 GLU HB3 HC -0.017300 0.000000 0.000000 1.300000 1.300000 1690 GLU CG CT 0.013600 -0.071400 0.755400 1.700000 1.700000 1691 GLU HG2 HC -0.042500 0.000000 0.000000 1.300000 1.300000 1692 GLU HG3 HC -0.042500 0.000000 0.000000 1.300000 1.300000 1693 GLU CD C 0.805400 0.805400 -0.903600 1.700000 1.700000 1694 GLU OE1 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 1695 GLU OE2 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 1696 GLU C C 0.536600 0.536600 -0.038900 1.700000 1.700000 1697 GLU O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 1698 TYR N N -0.415700 -0.143800 0.479000 1.550000 1.550000 1699 TYR H H 0.271900 0.000000 0.000000 1.300000 1.300000 1700 TYR CA CT -0.001400 0.086200 0.583500 1.700000 1.700000 1701 TYR HA H1 0.087600 0.000000 0.000000 1.300000 1.300000 1702 TYR CB CT -0.015200 0.043800 0.128900 1.700000 1.700000 1703 TYR HB2 HC 0.029500 0.000000 0.000000 1.300000 1.300000 1704 TYR HB3 HC 0.029500 0.000000 0.000000 1.300000 1.300000 1705 TYR CG CA -0.001100 -0.001100 0.001300 1.700000 1.700000 1706 TYR CD1 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 1707 TYR HD1 HA 0.169900 0.000000 0.000000 1.300000 1.300000 1708 TYR CE1 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 1709 TYR HE1 HA 0.165600 0.000000 0.000000 1.300000 1.300000 1710 TYR CZ C 0.322600 0.322600 0.026900 1.700000 1.700000 1711 TYR OH OH -0.557900 -0.158700 0.163900 1.500000 1.500000 1712 TYR HH HO 0.399200 0.000000 0.000000 0.800000 0.800000 1713 TYR CE2 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 1714 TYR HE2 HA 0.165600 0.000000 0.000000 1.300000 1.300000 1715 TYR CD2 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 1716 TYR HD2 HA 0.169900 0.000000 0.000000 1.300000 1.300000 1717 TYR C C 0.597300 0.597300 -0.028200 1.700000 1.700000 1718 TYR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1719 LEU N N -0.415700 -0.143800 0.493900 1.550000 1.550000 1720 LEU H H 0.271900 0.000000 0.000000 1.300000 1.300000 1721 LEU CA CT -0.051800 0.040400 0.475100 1.700000 1.700000 1722 LEU HA H1 0.092200 0.000000 0.000000 1.300000 1.300000 1723 LEU CB CT -0.110200 -0.018800 0.338600 1.700000 1.700000 1724 LEU HB2 HC 0.045700 0.000000 0.000000 1.300000 1.300000 1725 LEU HB3 HC 0.045700 0.000000 0.000000 1.300000 1.300000 1726 LEU CG CT 0.353100 0.317000 0.074000 1.700000 1.700000 1727 LEU HG HC -0.036100 0.000000 0.000000 1.300000 1.300000 1728 LEU CD1 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 1729 LEU HD11 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1730 LEU HD12 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1731 LEU HD13 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1732 LEU CD2 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 1733 LEU HD21 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1734 LEU HD22 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1735 LEU HD23 HC 0.100000 0.000000 0.000000 1.300000 1.300000 1736 LEU C C 0.597300 0.597300 -0.152900 1.700000 1.700000 1737 LEU O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1738 ASP N N -0.516300 -0.222700 0.500700 1.550000 1.550000 1739 ASP H H 0.293600 0.000000 0.000000 1.300000 1.300000 1740 ASP CA CT 0.038100 0.126100 0.385300 1.700000 1.700000 1741 ASP HA H1 0.088000 0.000000 0.000000 1.300000 1.300000 1742 ASP CB CT -0.030300 -0.054700 0.870800 1.700000 1.700000 1743 ASP HB2 HC -0.012200 0.000000 0.000000 1.300000 1.300000 1744 ASP HB3 HC -0.012200 0.000000 0.000000 1.300000 1.300000 1745 ASP CG C 0.799400 0.799400 -0.858100 1.700000 1.700000 1746 ASP OD1 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 1747 ASP OD2 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 1748 ASP C C 0.536600 0.536600 -0.141900 1.700000 1.700000 1749 ASP O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 1750 ASP N N -0.516300 -0.222700 0.440000 1.550000 1.550000 1751 ASP H H 0.293600 0.000000 0.000000 1.300000 1.300000 1752 ASP CA CT 0.038100 0.126100 0.385300 1.700000 1.700000 1753 ASP HA H1 0.088000 0.000000 0.000000 1.300000 1.300000 1754 ASP CB CT -0.030300 -0.054700 0.870800 1.700000 1.700000 1755 ASP HB2 HC -0.012200 0.000000 0.000000 1.300000 1.300000 1756 ASP HB3 HC -0.012200 0.000000 0.000000 1.300000 1.300000 1757 ASP CG C 0.799400 0.799400 -0.858100 1.700000 1.700000 1758 ASP OD1 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 1759 ASP OD2 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 1760 ASP C C 0.536600 0.536600 0.007600 1.700000 1.700000 1761 ASP O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 1762 ARG N N -0.347900 -0.073200 0.355700 1.550000 1.550000 1763 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 1764 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 1765 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 1766 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 1767 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 1768 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 1769 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 1770 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 1771 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 1772 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 1773 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 1774 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 1775 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 1776 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 1777 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 1778 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 1779 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 1780 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 1781 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 1782 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 1783 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 1784 ARG C C 0.734100 0.734100 -0.106800 1.700000 1.700000 1785 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 1786 ASN N N -0.415700 -0.143800 0.709400 1.550000 1.550000 1787 ASN H H 0.271900 0.000000 0.000000 1.300000 1.300000 1788 ASN CA CT 0.014300 0.119100 0.527900 1.700000 1.700000 1789 ASN HA H1 0.104800 0.000000 0.000000 1.300000 1.300000 1790 ASN CB CT -0.204100 -0.044700 0.787400 1.700000 1.700000 1791 ASN HB2 HC 0.079700 0.000000 0.000000 1.300000 1.300000 1792 ASN HB3 HC 0.079700 0.000000 0.000000 1.300000 1.300000 1793 ASN CG C 0.713000 0.713000 -0.004700 1.700000 1.700000 1794 ASN OD1 O -0.593100 -0.593100 0.119900 1.500000 1.500000 1795 ASN ND2 N -0.919100 -0.079900 0.633100 1.550000 1.550000 1796 ASN HD21 H 0.419600 0.000000 0.000000 1.300000 1.300000 1797 ASN HD22 H 0.419600 0.000000 0.000000 1.300000 1.300000 1798 ASN C C 0.597300 0.597300 0.004700 1.700000 1.700000 1799 ASN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1800 THR N N -0.415700 -0.143800 0.515300 1.550000 1.550000 1801 THR H H 0.271900 0.000000 0.000000 1.300000 1.300000 1802 THR CA CT -0.038900 0.061800 0.885000 1.700000 1.700000 1803 THR HA H1 0.100700 0.000000 0.000000 1.300000 1.300000 1804 THR CB CT 0.365400 0.369700 0.114400 1.700000 1.700000 1805 THR HB H1 0.004300 0.000000 0.000000 1.300000 1.300000 1806 THR CG2 CT -0.243800 -0.051200 0.318500 1.700000 1.700000 1807 THR HG21 HC 0.064200 0.000000 0.000000 1.300000 1.300000 1808 THR HG22 HC 0.064200 0.000000 0.000000 1.300000 1.300000 1809 THR HG23 HC 0.064200 0.000000 0.000000 1.300000 1.300000 1810 THR OG1 OH -0.676100 -0.265900 0.103800 1.500000 1.500000 1811 THR HG1 HO 0.410200 0.000000 0.000000 0.800000 0.800000 1812 THR C C 0.597300 0.597300 -0.052600 1.700000 1.700000 1813 THR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1814 PHE N N -0.415700 -0.143800 0.548900 1.550000 1.550000 1815 PHE H H 0.271900 0.000000 0.000000 1.300000 1.300000 1816 PHE CA CT -0.002400 0.095400 0.573600 1.700000 1.700000 1817 PHE HA H1 0.097800 0.000000 0.000000 1.300000 1.300000 1818 PHE CB CT -0.034300 0.024700 0.131900 1.700000 1.700000 1819 PHE HB2 HC 0.029500 0.000000 0.000000 1.300000 1.300000 1820 PHE HB3 HC 0.029500 0.000000 0.000000 1.300000 1.300000 1821 PHE CG CA 0.011800 0.011800 0.051300 1.700000 1.700000 1822 PHE CD1 CA -0.125600 0.007400 -0.008200 1.700000 1.700000 1823 PHE HD1 HA 0.133000 0.000000 0.000000 1.300000 1.300000 1824 PHE CE1 CA -0.170400 -0.027400 0.002500 1.700000 1.700000 1825 PHE HE1 HA 0.143000 0.000000 0.000000 1.300000 1.300000 1826 PHE CZ CA -0.107200 0.022500 -0.032300 1.700000 1.700000 1827 PHE HZ HA 0.129700 0.000000 0.000000 1.300000 1.300000 1828 PHE CE2 CA -0.170400 -0.027400 0.002500 1.700000 1.700000 1829 PHE HE2 HA 0.143000 0.000000 0.000000 1.300000 1.300000 1830 PHE CD2 CA -0.125600 0.007400 -0.008200 1.700000 1.700000 1831 PHE HD2 HA 0.133000 0.000000 0.000000 1.300000 1.300000 1832 PHE C C 0.597300 0.597300 0.051600 1.700000 1.700000 1833 PHE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1834 ARG N N -0.347900 -0.073200 0.416400 1.550000 1.550000 1835 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 1836 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 1837 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 1838 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 1839 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 1840 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 1841 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 1842 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 1843 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 1844 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 1845 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 1846 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 1847 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 1848 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 1849 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 1850 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 1851 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 1852 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 1853 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 1854 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 1855 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 1856 ARG C C 0.734100 0.734100 -0.106800 1.700000 1.700000 1857 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 1858 HIE N N -0.415700 -0.143800 0.668200 1.550000 1.550000 1859 HIE H H 0.271900 0.000000 0.000000 1.300000 1.300000 1860 HIE CA CT -0.058100 0.077900 0.597400 1.700000 1.700000 1861 HIE HA H1 0.136000 0.000000 0.000000 1.300000 1.300000 1862 HIE CB CT -0.007400 0.066000 0.330700 1.700000 1.700000 1863 HIE HB2 HC 0.036700 0.000000 0.000000 1.300000 1.300000 1864 HIE HB3 HC 0.036700 0.000000 0.000000 1.300000 1.300000 1865 HIE CG CC 0.186800 0.186800 -0.324900 1.700000 1.700000 1866 HIE ND1 NB -0.543200 -0.543200 -0.049400 1.550000 1.550000 1867 HIE CE1 CR 0.163500 0.307000 -0.181800 1.700000 1.700000 1868 HIE HE1 H5 0.143500 0.000000 0.000000 1.300000 1.300000 1869 HIE NE2 NA -0.279500 0.054400 0.326900 1.550000 1.550000 1870 HIE HE2 H 0.333900 0.000000 0.000000 1.300000 1.300000 1871 HIE CD2 CW -0.220700 -0.034500 0.206700 1.700000 1.700000 1872 HIE HD2 H4 0.186200 0.000000 0.000000 1.300000 1.300000 1873 HIE C C 0.597300 0.597300 -0.036500 1.700000 1.700000 1874 HIE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1875 SER N N -0.415700 -0.143800 0.512900 1.550000 1.550000 1876 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 1877 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 1878 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 1879 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 1880 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 1881 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 1882 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 1883 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 1884 SER C C 0.597300 0.597300 -0.055000 1.700000 1.700000 1885 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1886 VAL N N -0.415700 -0.143800 0.462900 1.550000 1.550000 1887 VAL H H 0.271900 0.000000 0.000000 1.300000 1.300000 1888 VAL CA CT -0.087500 0.009400 0.731700 1.700000 1.700000 1889 VAL HA H1 0.096900 0.000000 0.000000 1.300000 1.300000 1890 VAL CB CT 0.298500 0.268800 0.114400 1.700000 1.700000 1891 VAL HB HC -0.029700 0.000000 0.000000 1.300000 1.300000 1892 VAL CG1 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 1893 VAL HG11 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1894 VAL HG12 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1895 VAL HG13 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1896 VAL CG2 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 1897 VAL HG21 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1898 VAL HG22 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1899 VAL HG23 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1900 VAL C C 0.597300 0.597300 -0.105000 1.700000 1.700000 1901 VAL O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1902 VAL N N -0.415700 -0.143800 0.462900 1.550000 1.550000 1903 VAL H H 0.271900 0.000000 0.000000 1.300000 1.300000 1904 VAL CA CT -0.087500 0.009400 0.731700 1.700000 1.700000 1905 VAL HA H1 0.096900 0.000000 0.000000 1.300000 1.300000 1906 VAL CB CT 0.298500 0.268800 0.114400 1.700000 1.700000 1907 VAL HB HC -0.029700 0.000000 0.000000 1.300000 1.300000 1908 VAL CG1 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 1909 VAL HG11 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1910 VAL HG12 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1911 VAL HG13 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1912 VAL CG2 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 1913 VAL HG21 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1914 VAL HG22 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1915 VAL HG23 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1916 VAL C C 0.597300 0.597300 -0.105000 1.700000 1.700000 1917 VAL O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1918 VAL N N -0.415700 -0.143800 0.462900 1.550000 1.550000 1919 VAL H H 0.271900 0.000000 0.000000 1.300000 1.300000 1920 VAL CA CT -0.087500 0.009400 0.731700 1.700000 1.700000 1921 VAL HA H1 0.096900 0.000000 0.000000 1.300000 1.300000 1922 VAL CB CT 0.298500 0.268800 0.114400 1.700000 1.700000 1923 VAL HB HC -0.029700 0.000000 0.000000 1.300000 1.300000 1924 VAL CG1 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 1925 VAL HG11 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1926 VAL HG12 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1927 VAL HG13 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1928 VAL CG2 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 1929 VAL HG21 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1930 VAL HG22 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1931 VAL HG23 HC 0.079100 0.000000 0.000000 1.300000 1.300000 1932 VAL C C 0.597300 0.597300 -0.216000 1.700000 1.700000 1933 VAL O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1934 PRO N N -0.254800 -0.254800 0.477400 1.550000 1.550000 1935 PRO CD CT 0.019200 0.097400 -0.095900 1.700000 1.700000 1936 PRO HD2 H1 0.039100 0.000000 0.000000 1.300000 1.300000 1937 PRO HD3 H1 0.039100 0.000000 0.000000 1.300000 1.300000 1938 PRO CG CT 0.018900 0.061500 0.202500 1.700000 1.700000 1939 PRO HG2 HC 0.021300 0.000000 0.000000 1.300000 1.300000 1940 PRO HG3 HC 0.021300 0.000000 0.000000 1.300000 1.300000 1941 PRO CB CT -0.007000 0.043600 0.142600 1.700000 1.700000 1942 PRO HB2 HC 0.025300 0.000000 0.000000 1.300000 1.300000 1943 PRO HB3 HC 0.025300 0.000000 0.000000 1.300000 1.300000 1944 PRO CA CT -0.026600 0.037500 0.415900 1.700000 1.700000 1945 PRO HA H1 0.064100 0.000000 0.000000 1.300000 1.300000 1946 PRO C C 0.589600 0.589600 -0.091500 1.700000 1.700000 1947 PRO O O -0.574800 -0.574800 0.014800 1.500000 1.500000 1948 TYR N N -0.415700 -0.143800 0.532000 1.550000 1.550000 1949 TYR H H 0.271900 0.000000 0.000000 1.300000 1.300000 1950 TYR CA CT -0.001400 0.086200 0.583500 1.700000 1.700000 1951 TYR HA H1 0.087600 0.000000 0.000000 1.300000 1.300000 1952 TYR CB CT -0.015200 0.043800 0.128900 1.700000 1.700000 1953 TYR HB2 HC 0.029500 0.000000 0.000000 1.300000 1.300000 1954 TYR HB3 HC 0.029500 0.000000 0.000000 1.300000 1.300000 1955 TYR CG CA -0.001100 -0.001100 0.001300 1.700000 1.700000 1956 TYR CD1 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 1957 TYR HD1 HA 0.169900 0.000000 0.000000 1.300000 1.300000 1958 TYR CE1 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 1959 TYR HE1 HA 0.165600 0.000000 0.000000 1.300000 1.300000 1960 TYR CZ C 0.322600 0.322600 0.026900 1.700000 1.700000 1961 TYR OH OH -0.557900 -0.158700 0.163900 1.500000 1.500000 1962 TYR HH HO 0.399200 0.000000 0.000000 0.800000 0.800000 1963 TYR CE2 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 1964 TYR HE2 HA 0.165600 0.000000 0.000000 1.300000 1.300000 1965 TYR CD2 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 1966 TYR HD2 HA 0.169900 0.000000 0.000000 1.300000 1.300000 1967 TYR C C 0.597300 0.597300 -0.107100 1.700000 1.700000 1968 TYR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 1969 GLU N N -0.516300 -0.222700 0.524800 1.550000 1.550000 1970 GLU H H 0.293600 0.000000 0.000000 1.300000 1.300000 1971 GLU CA CT 0.039700 0.150200 0.485500 1.700000 1.700000 1972 GLU HA H1 0.110500 0.000000 0.000000 1.300000 1.300000 1973 GLU CB CT 0.056000 0.021400 0.100200 1.700000 1.700000 1974 GLU HB2 HC -0.017300 0.000000 0.000000 1.300000 1.300000 1975 GLU HB3 HC -0.017300 0.000000 0.000000 1.300000 1.300000 1976 GLU CG CT 0.013600 -0.071400 0.755400 1.700000 1.700000 1977 GLU HG2 HC -0.042500 0.000000 0.000000 1.300000 1.300000 1978 GLU HG3 HC -0.042500 0.000000 0.000000 1.300000 1.300000 1979 GLU CD C 0.805400 0.805400 -0.903600 1.700000 1.700000 1980 GLU OE1 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 1981 GLU OE2 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 1982 GLU C C 0.536600 0.536600 -0.149900 1.700000 1.700000 1983 GLU O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 1984 PRO N N -0.254800 -0.254800 0.416700 1.550000 1.550000 1985 PRO CD CT 0.019200 0.097400 -0.095900 1.700000 1.700000 1986 PRO HD2 H1 0.039100 0.000000 0.000000 1.300000 1.300000 1987 PRO HD3 H1 0.039100 0.000000 0.000000 1.300000 1.300000 1988 PRO CG CT 0.018900 0.061500 0.202500 1.700000 1.700000 1989 PRO HG2 HC 0.021300 0.000000 0.000000 1.300000 1.300000 1990 PRO HG3 HC 0.021300 0.000000 0.000000 1.300000 1.300000 1991 PRO CB CT -0.007000 0.043600 0.142600 1.700000 1.700000 1992 PRO HB2 HC 0.025300 0.000000 0.000000 1.300000 1.300000 1993 PRO HB3 HC 0.025300 0.000000 0.000000 1.300000 1.300000 1994 PRO CA CT -0.026600 0.037500 0.415900 1.700000 1.700000 1995 PRO HA H1 0.064100 0.000000 0.000000 1.300000 1.300000 1996 PRO C C 0.589600 0.589600 -0.202500 1.700000 1.700000 1997 PRO O O -0.574800 -0.574800 0.014800 1.500000 1.500000 1998 PRO N N -0.254800 -0.254800 0.469700 1.550000 1.550000 1999 PRO CD CT 0.019200 0.097400 -0.095900 1.700000 1.700000 2000 PRO HD2 H1 0.039100 0.000000 0.000000 1.300000 1.300000 2001 PRO HD3 H1 0.039100 0.000000 0.000000 1.300000 1.300000 2002 PRO CG CT 0.018900 0.061500 0.202500 1.700000 1.700000 2003 PRO HG2 HC 0.021300 0.000000 0.000000 1.300000 1.300000 2004 PRO HG3 HC 0.021300 0.000000 0.000000 1.300000 1.300000 2005 PRO CB CT -0.007000 0.043600 0.142600 1.700000 1.700000 2006 PRO HB2 HC 0.025300 0.000000 0.000000 1.300000 1.300000 2007 PRO HB3 HC 0.025300 0.000000 0.000000 1.300000 1.300000 2008 PRO CA CT -0.026600 0.037500 0.415900 1.700000 1.700000 2009 PRO HA H1 0.064100 0.000000 0.000000 1.300000 1.300000 2010 PRO C C 0.589600 0.589600 -0.170400 1.700000 1.700000 2011 PRO O O -0.574800 -0.574800 0.014800 1.500000 1.500000 2012 GLU N N -0.516300 -0.222700 0.517100 1.550000 1.550000 2013 GLU H H 0.293600 0.000000 0.000000 1.300000 1.300000 2014 GLU CA CT 0.039700 0.150200 0.485500 1.700000 1.700000 2015 GLU HA H1 0.110500 0.000000 0.000000 1.300000 1.300000 2016 GLU CB CT 0.056000 0.021400 0.100200 1.700000 1.700000 2017 GLU HB2 HC -0.017300 0.000000 0.000000 1.300000 1.300000 2018 GLU HB3 HC -0.017300 0.000000 0.000000 1.300000 1.300000 2019 GLU CG CT 0.013600 -0.071400 0.755400 1.700000 1.700000 2020 GLU HG2 HC -0.042500 0.000000 0.000000 1.300000 1.300000 2021 GLU HG3 HC -0.042500 0.000000 0.000000 1.300000 1.300000 2022 GLU CD C 0.805400 0.805400 -0.903600 1.700000 1.700000 2023 GLU OE1 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 2024 GLU OE2 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 2025 GLU C C 0.536600 0.536600 -0.038900 1.700000 1.700000 2026 GLU O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 2027 VAL N N -0.415700 -0.143800 0.402200 1.550000 1.550000 2028 VAL H H 0.271900 0.000000 0.000000 1.300000 1.300000 2029 VAL CA CT -0.087500 0.009400 0.731700 1.700000 1.700000 2030 VAL HA H1 0.096900 0.000000 0.000000 1.300000 1.300000 2031 VAL CB CT 0.298500 0.268800 0.114400 1.700000 1.700000 2032 VAL HB HC -0.029700 0.000000 0.000000 1.300000 1.300000 2033 VAL CG1 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 2034 VAL HG11 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2035 VAL HG12 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2036 VAL HG13 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2037 VAL CG2 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 2038 VAL HG21 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2039 VAL HG22 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2040 VAL HG23 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2041 VAL C C 0.597300 0.597300 -0.105000 1.700000 1.700000 2042 VAL O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2043 GLY N N -0.415700 -0.143800 0.567900 1.550000 1.550000 2044 GLY H H 0.271900 0.000000 0.000000 1.300000 1.300000 2045 GLY CA CT -0.025200 0.114400 0.567900 1.700000 1.700000 2046 GLY HA2 H1 0.069800 0.000000 0.000000 1.300000 1.300000 2047 GLY HA3 H1 0.069800 0.000000 0.000000 1.300000 1.300000 2048 GLY C C 0.597300 0.597300 0.000000 1.700000 1.700000 2049 GLY O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2050 SER N N -0.415700 -0.143800 0.512900 1.550000 1.550000 2051 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 2052 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 2053 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 2054 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 2055 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 2056 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 2057 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 2058 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 2059 SER C C 0.597300 0.597300 -0.133900 1.700000 1.700000 2060 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2061 ASP N N -0.516300 -0.222700 0.500700 1.550000 1.550000 2062 ASP H H 0.293600 0.000000 0.000000 1.300000 1.300000 2063 ASP CA CT 0.038100 0.126100 0.385300 1.700000 1.700000 2064 ASP HA H1 0.088000 0.000000 0.000000 1.300000 1.300000 2065 ASP CB CT -0.030300 -0.054700 0.870800 1.700000 1.700000 2066 ASP HB2 HC -0.012200 0.000000 0.000000 1.300000 1.300000 2067 ASP HB3 HC -0.012200 0.000000 0.000000 1.300000 1.300000 2068 ASP CG C 0.799400 0.799400 -0.858100 1.700000 1.700000 2069 ASP OD1 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 2070 ASP OD2 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 2071 ASP C C 0.536600 0.536600 -0.063000 1.700000 1.700000 2072 ASP O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 2073 CYS N N -0.415700 -0.143800 0.526500 1.550000 1.550000 2074 CYS H H 0.271900 0.000000 0.000000 1.300000 1.300000 2075 CYS CA CT 0.021300 0.133700 0.686500 1.700000 1.700000 2076 CYS HA H1 0.112400 0.000000 0.000000 1.300000 1.300000 2077 CYS CB CT -0.123100 0.099300 0.114400 1.700000 1.700000 2078 CYS HB2 H1 0.111200 0.000000 0.000000 1.300000 1.300000 2079 CYS HB3 H1 0.111200 0.000000 0.000000 1.300000 1.300000 2080 CYS SG SH -0.311900 -0.118600 -0.019300 1.800000 1.800000 2081 CYS HG HS 0.193300 0.000000 0.000000 0.800000 0.800000 2082 CYS C C 0.597300 0.597300 0.019300 1.700000 1.700000 2083 CYS O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2084 THR N N -0.415700 -0.143800 0.515300 1.550000 1.550000 2085 THR H H 0.271900 0.000000 0.000000 1.300000 1.300000 2086 THR CA CT -0.038900 0.061800 0.885000 1.700000 1.700000 2087 THR HA H1 0.100700 0.000000 0.000000 1.300000 1.300000 2088 THR CB CT 0.365400 0.369700 0.114400 1.700000 1.700000 2089 THR HB H1 0.004300 0.000000 0.000000 1.300000 1.300000 2090 THR CG2 CT -0.243800 -0.051200 0.318500 1.700000 1.700000 2091 THR HG21 HC 0.064200 0.000000 0.000000 1.300000 1.300000 2092 THR HG22 HC 0.064200 0.000000 0.000000 1.300000 1.300000 2093 THR HG23 HC 0.064200 0.000000 0.000000 1.300000 1.300000 2094 THR OG1 OH -0.676100 -0.265900 0.103800 1.500000 1.500000 2095 THR HG1 HO 0.410200 0.000000 0.000000 0.800000 0.800000 2096 THR C C 0.597300 0.597300 -0.052600 1.700000 1.700000 2097 THR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2098 THR N N -0.415700 -0.143800 0.515300 1.550000 1.550000 2099 THR H H 0.271900 0.000000 0.000000 1.300000 1.300000 2100 THR CA CT -0.038900 0.061800 0.885000 1.700000 1.700000 2101 THR HA H1 0.100700 0.000000 0.000000 1.300000 1.300000 2102 THR CB CT 0.365400 0.369700 0.114400 1.700000 1.700000 2103 THR HB H1 0.004300 0.000000 0.000000 1.300000 1.300000 2104 THR CG2 CT -0.243800 -0.051200 0.318500 1.700000 1.700000 2105 THR HG21 HC 0.064200 0.000000 0.000000 1.300000 1.300000 2106 THR HG22 HC 0.064200 0.000000 0.000000 1.300000 1.300000 2107 THR HG23 HC 0.064200 0.000000 0.000000 1.300000 1.300000 2108 THR OG1 OH -0.676100 -0.265900 0.103800 1.500000 1.500000 2109 THR HG1 HO 0.410200 0.000000 0.000000 0.800000 0.800000 2110 THR C C 0.597300 0.597300 -0.052600 1.700000 1.700000 2111 THR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2112 ILE N N -0.415700 -0.143800 0.480700 1.550000 1.550000 2113 ILE H H 0.271900 0.000000 0.000000 1.300000 1.300000 2114 ILE CA CT -0.059700 0.027200 0.629700 1.700000 1.700000 2115 ILE HA H1 0.086900 0.000000 0.000000 1.300000 1.300000 2116 ILE CB CT 0.130300 0.149000 0.124600 1.700000 1.700000 2117 ILE HB HC 0.018700 0.000000 0.000000 1.300000 1.300000 2118 ILE CG2 CT -0.320400 -0.055800 0.093200 1.700000 1.700000 2119 ILE HG21 HC 0.088200 0.000000 0.000000 1.300000 1.300000 2120 ILE HG22 HC 0.088200 0.000000 0.000000 1.300000 1.300000 2121 ILE HG23 HC 0.088200 0.000000 0.000000 1.300000 1.300000 2122 ILE CG1 CT -0.043000 0.004200 0.143000 1.700000 1.700000 2123 ILE HG12 HC 0.023600 0.000000 0.000000 1.300000 1.300000 2124 ILE HG13 HC 0.023600 0.000000 0.000000 1.300000 1.300000 2125 ILE CD1 CT -0.066000 -0.010200 -0.006000 1.700000 1.700000 2126 ILE HD11 HC 0.018600 0.000000 0.000000 1.300000 1.300000 2127 ILE HD12 HC 0.018600 0.000000 0.000000 1.300000 1.300000 2128 ILE HD13 HC 0.018600 0.000000 0.000000 1.300000 1.300000 2129 ILE C C 0.597300 0.597300 -0.087200 1.700000 1.700000 2130 ILE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2131 HIE N N -0.415700 -0.143800 0.531400 1.550000 1.550000 2132 HIE H H 0.271900 0.000000 0.000000 1.300000 1.300000 2133 HIE CA CT -0.058100 0.077900 0.597400 1.700000 1.700000 2134 HIE HA H1 0.136000 0.000000 0.000000 1.300000 1.300000 2135 HIE CB CT -0.007400 0.066000 0.330700 1.700000 1.700000 2136 HIE HB2 HC 0.036700 0.000000 0.000000 1.300000 1.300000 2137 HIE HB3 HC 0.036700 0.000000 0.000000 1.300000 1.300000 2138 HIE CG CC 0.186800 0.186800 -0.324900 1.700000 1.700000 2139 HIE ND1 NB -0.543200 -0.543200 -0.049400 1.550000 1.550000 2140 HIE CE1 CR 0.163500 0.307000 -0.181800 1.700000 1.700000 2141 HIE HE1 H5 0.143500 0.000000 0.000000 1.300000 1.300000 2142 HIE NE2 NA -0.279500 0.054400 0.326900 1.550000 1.550000 2143 HIE HE2 H 0.333900 0.000000 0.000000 1.300000 1.300000 2144 HIE CD2 CW -0.220700 -0.034500 0.206700 1.700000 1.700000 2145 HIE HD2 H4 0.186200 0.000000 0.000000 1.300000 1.300000 2146 HIE C C 0.597300 0.597300 -0.036500 1.700000 1.700000 2147 HIE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2148 TYR N N -0.415700 -0.143800 0.539700 1.550000 1.550000 2149 TYR H H 0.271900 0.000000 0.000000 1.300000 1.300000 2150 TYR CA CT -0.001400 0.086200 0.583500 1.700000 1.700000 2151 TYR HA H1 0.087600 0.000000 0.000000 1.300000 1.300000 2152 TYR CB CT -0.015200 0.043800 0.128900 1.700000 1.700000 2153 TYR HB2 HC 0.029500 0.000000 0.000000 1.300000 1.300000 2154 TYR HB3 HC 0.029500 0.000000 0.000000 1.300000 1.300000 2155 TYR CG CA -0.001100 -0.001100 0.001300 1.700000 1.700000 2156 TYR CD1 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 2157 TYR HD1 HA 0.169900 0.000000 0.000000 1.300000 1.300000 2158 TYR CE1 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 2159 TYR HE1 HA 0.165600 0.000000 0.000000 1.300000 1.300000 2160 TYR CZ C 0.322600 0.322600 0.026900 1.700000 1.700000 2161 TYR OH OH -0.557900 -0.158700 0.163900 1.500000 1.500000 2162 TYR HH HO 0.399200 0.000000 0.000000 0.800000 0.800000 2163 TYR CE2 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 2164 TYR HE2 HA 0.165600 0.000000 0.000000 1.300000 1.300000 2165 TYR CD2 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 2166 TYR HD2 HA 0.169900 0.000000 0.000000 1.300000 1.300000 2167 TYR C C 0.597300 0.597300 -0.028200 1.700000 1.700000 2168 TYR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2169 ASN N N -0.415700 -0.143800 0.572600 1.550000 1.550000 2170 ASN H H 0.271900 0.000000 0.000000 1.300000 1.300000 2171 ASN CA CT 0.014300 0.119100 0.527900 1.700000 1.700000 2172 ASN HA H1 0.104800 0.000000 0.000000 1.300000 1.300000 2173 ASN CB CT -0.204100 -0.044700 0.787400 1.700000 1.700000 2174 ASN HB2 HC 0.079700 0.000000 0.000000 1.300000 1.300000 2175 ASN HB3 HC 0.079700 0.000000 0.000000 1.300000 1.300000 2176 ASN CG C 0.713000 0.713000 -0.004700 1.700000 1.700000 2177 ASN OD1 O -0.593100 -0.593100 0.119900 1.500000 1.500000 2178 ASN ND2 N -0.919100 -0.079900 0.633100 1.550000 1.550000 2179 ASN HD21 H 0.419600 0.000000 0.000000 1.300000 1.300000 2180 ASN HD22 H 0.419600 0.000000 0.000000 1.300000 1.300000 2181 ASN C C 0.597300 0.597300 0.004700 1.700000 1.700000 2182 ASN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2183 TYR N N -0.415700 -0.143800 0.539700 1.550000 1.550000 2184 TYR H H 0.271900 0.000000 0.000000 1.300000 1.300000 2185 TYR CA CT -0.001400 0.086200 0.583500 1.700000 1.700000 2186 TYR HA H1 0.087600 0.000000 0.000000 1.300000 1.300000 2187 TYR CB CT -0.015200 0.043800 0.128900 1.700000 1.700000 2188 TYR HB2 HC 0.029500 0.000000 0.000000 1.300000 1.300000 2189 TYR HB3 HC 0.029500 0.000000 0.000000 1.300000 1.300000 2190 TYR CG CA -0.001100 -0.001100 0.001300 1.700000 1.700000 2191 TYR CD1 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 2192 TYR HD1 HA 0.169900 0.000000 0.000000 1.300000 1.300000 2193 TYR CE1 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 2194 TYR HE1 HA 0.165600 0.000000 0.000000 1.300000 1.300000 2195 TYR CZ C 0.322600 0.322600 0.026900 1.700000 1.700000 2196 TYR OH OH -0.557900 -0.158700 0.163900 1.500000 1.500000 2197 TYR HH HO 0.399200 0.000000 0.000000 0.800000 0.800000 2198 TYR CE2 CA -0.234100 -0.068500 0.233400 1.700000 1.700000 2199 TYR HE2 HA 0.165600 0.000000 0.000000 1.300000 1.300000 2200 TYR CD2 CA -0.190600 -0.020700 -0.090300 1.700000 1.700000 2201 TYR HD2 HA 0.169900 0.000000 0.000000 1.300000 1.300000 2202 TYR C C 0.597300 0.597300 -0.028200 1.700000 1.700000 2203 TYR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2204 MET N N -0.415700 -0.143800 0.517800 1.550000 1.550000 2205 MET H H 0.271900 0.000000 0.000000 1.300000 1.300000 2206 MET CA CT -0.023700 0.064300 0.600200 1.700000 1.700000 2207 MET HA H1 0.088000 0.000000 0.000000 1.300000 1.300000 2208 MET CB CT 0.034200 0.082400 0.236500 1.700000 1.700000 2209 MET HB2 HC 0.024100 0.000000 0.000000 1.300000 1.300000 2210 MET HB3 HC 0.024100 0.000000 0.000000 1.300000 1.300000 2211 MET CG CT 0.001800 0.089800 -0.101500 1.700000 1.700000 2212 MET HG2 H1 0.044000 0.000000 0.000000 1.300000 1.300000 2213 MET HG3 H1 0.044000 0.000000 0.000000 1.300000 1.300000 2214 MET SD S -0.273700 -0.273700 -0.032300 1.800000 1.800000 2215 MET CE CT -0.053600 0.151600 -0.122100 1.700000 1.700000 2216 MET HE1 H1 0.068400 0.000000 0.000000 1.300000 1.300000 2217 MET HE2 H1 0.068400 0.000000 0.000000 1.300000 1.300000 2218 MET HE3 H1 0.068400 0.000000 0.000000 1.300000 1.300000 2219 MET C C 0.597300 0.597300 -0.050100 1.700000 1.700000 2220 MET O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2221 CYS N N -0.415700 -0.143800 0.587200 1.550000 1.550000 2222 CYS H H 0.271900 0.000000 0.000000 1.300000 1.300000 2223 CYS CA CT 0.021300 0.133700 0.686500 1.700000 1.700000 2224 CYS HA H1 0.112400 0.000000 0.000000 1.300000 1.300000 2225 CYS CB CT -0.123100 0.099300 0.114400 1.700000 1.700000 2226 CYS HB2 H1 0.111200 0.000000 0.000000 1.300000 1.300000 2227 CYS HB3 H1 0.111200 0.000000 0.000000 1.300000 1.300000 2228 CYS SG SH -0.311900 -0.118600 -0.019300 1.800000 1.800000 2229 CYS HG HS 0.193300 0.000000 0.000000 0.800000 0.800000 2230 CYS C C 0.597300 0.597300 0.019300 1.700000 1.700000 2231 CYS O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2232 ASN N N -0.415700 -0.143800 0.572600 1.550000 1.550000 2233 ASN H H 0.271900 0.000000 0.000000 1.300000 1.300000 2234 ASN CA CT 0.014300 0.119100 0.527900 1.700000 1.700000 2235 ASN HA H1 0.104800 0.000000 0.000000 1.300000 1.300000 2236 ASN CB CT -0.204100 -0.044700 0.787400 1.700000 1.700000 2237 ASN HB2 HC 0.079700 0.000000 0.000000 1.300000 1.300000 2238 ASN HB3 HC 0.079700 0.000000 0.000000 1.300000 1.300000 2239 ASN CG C 0.713000 0.713000 -0.004700 1.700000 1.700000 2240 ASN OD1 O -0.593100 -0.593100 0.119900 1.500000 1.500000 2241 ASN ND2 N -0.919100 -0.079900 0.633100 1.550000 1.550000 2242 ASN HD21 H 0.419600 0.000000 0.000000 1.300000 1.300000 2243 ASN HD22 H 0.419600 0.000000 0.000000 1.300000 1.300000 2244 ASN C C 0.597300 0.597300 0.004700 1.700000 1.700000 2245 ASN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2246 SER N N -0.415700 -0.143800 0.512900 1.550000 1.550000 2247 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 2248 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 2249 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 2250 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 2251 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 2252 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 2253 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 2254 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 2255 SER C C 0.597300 0.597300 -0.055000 1.700000 1.700000 2256 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2257 SER N N -0.415700 -0.143800 0.512900 1.550000 1.550000 2258 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 2259 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 2260 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 2261 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 2262 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 2263 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 2264 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 2265 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 2266 SER C C 0.597300 0.597300 -0.055000 1.700000 1.700000 2267 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2268 CYS N N -0.415700 -0.143800 0.587200 1.550000 1.550000 2269 CYS H H 0.271900 0.000000 0.000000 1.300000 1.300000 2270 CYS CA CT 0.021300 0.133700 0.686500 1.700000 1.700000 2271 CYS HA H1 0.112400 0.000000 0.000000 1.300000 1.300000 2272 CYS CB CT -0.123100 0.099300 0.114400 1.700000 1.700000 2273 CYS HB2 H1 0.111200 0.000000 0.000000 1.300000 1.300000 2274 CYS HB3 H1 0.111200 0.000000 0.000000 1.300000 1.300000 2275 CYS SG SH -0.311900 -0.118600 -0.019300 1.800000 1.800000 2276 CYS HG HS 0.193300 0.000000 0.000000 0.800000 0.800000 2277 CYS C C 0.597300 0.597300 0.019300 1.700000 1.700000 2278 CYS O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2279 MET N N -0.415700 -0.143800 0.517800 1.550000 1.550000 2280 MET H H 0.271900 0.000000 0.000000 1.300000 1.300000 2281 MET CA CT -0.023700 0.064300 0.600200 1.700000 1.700000 2282 MET HA H1 0.088000 0.000000 0.000000 1.300000 1.300000 2283 MET CB CT 0.034200 0.082400 0.236500 1.700000 1.700000 2284 MET HB2 HC 0.024100 0.000000 0.000000 1.300000 1.300000 2285 MET HB3 HC 0.024100 0.000000 0.000000 1.300000 1.300000 2286 MET CG CT 0.001800 0.089800 -0.101500 1.700000 1.700000 2287 MET HG2 H1 0.044000 0.000000 0.000000 1.300000 1.300000 2288 MET HG3 H1 0.044000 0.000000 0.000000 1.300000 1.300000 2289 MET SD S -0.273700 -0.273700 -0.032300 1.800000 1.800000 2290 MET CE CT -0.053600 0.151600 -0.122100 1.700000 1.700000 2291 MET HE1 H1 0.068400 0.000000 0.000000 1.300000 1.300000 2292 MET HE2 H1 0.068400 0.000000 0.000000 1.300000 1.300000 2293 MET HE3 H1 0.068400 0.000000 0.000000 1.300000 1.300000 2294 MET C C 0.597300 0.597300 -0.050100 1.700000 1.700000 2295 MET O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2296 GLY N N -0.415700 -0.143800 0.567900 1.550000 1.550000 2297 GLY H H 0.271900 0.000000 0.000000 1.300000 1.300000 2298 GLY CA CT -0.025200 0.114400 0.567900 1.700000 1.700000 2299 GLY HA2 H1 0.069800 0.000000 0.000000 1.300000 1.300000 2300 GLY HA3 H1 0.069800 0.000000 0.000000 1.300000 1.300000 2301 GLY C C 0.597300 0.597300 0.000000 1.700000 1.700000 2302 GLY O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2303 GLY N N -0.415700 -0.143800 0.567900 1.550000 1.550000 2304 GLY H H 0.271900 0.000000 0.000000 1.300000 1.300000 2305 GLY CA CT -0.025200 0.114400 0.567900 1.700000 1.700000 2306 GLY HA2 H1 0.069800 0.000000 0.000000 1.300000 1.300000 2307 GLY HA3 H1 0.069800 0.000000 0.000000 1.300000 1.300000 2308 GLY C C 0.597300 0.597300 0.000000 1.700000 1.700000 2309 GLY O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2310 MET N N -0.415700 -0.143800 0.517800 1.550000 1.550000 2311 MET H H 0.271900 0.000000 0.000000 1.300000 1.300000 2312 MET CA CT -0.023700 0.064300 0.600200 1.700000 1.700000 2313 MET HA H1 0.088000 0.000000 0.000000 1.300000 1.300000 2314 MET CB CT 0.034200 0.082400 0.236500 1.700000 1.700000 2315 MET HB2 HC 0.024100 0.000000 0.000000 1.300000 1.300000 2316 MET HB3 HC 0.024100 0.000000 0.000000 1.300000 1.300000 2317 MET CG CT 0.001800 0.089800 -0.101500 1.700000 1.700000 2318 MET HG2 H1 0.044000 0.000000 0.000000 1.300000 1.300000 2319 MET HG3 H1 0.044000 0.000000 0.000000 1.300000 1.300000 2320 MET SD S -0.273700 -0.273700 -0.032300 1.800000 1.800000 2321 MET CE CT -0.053600 0.151600 -0.122100 1.700000 1.700000 2322 MET HE1 H1 0.068400 0.000000 0.000000 1.300000 1.300000 2323 MET HE2 H1 0.068400 0.000000 0.000000 1.300000 1.300000 2324 MET HE3 H1 0.068400 0.000000 0.000000 1.300000 1.300000 2325 MET C C 0.597300 0.597300 -0.050100 1.700000 1.700000 2326 MET O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2327 ASN N N -0.415700 -0.143800 0.572600 1.550000 1.550000 2328 ASN H H 0.271900 0.000000 0.000000 1.300000 1.300000 2329 ASN CA CT 0.014300 0.119100 0.527900 1.700000 1.700000 2330 ASN HA H1 0.104800 0.000000 0.000000 1.300000 1.300000 2331 ASN CB CT -0.204100 -0.044700 0.787400 1.700000 1.700000 2332 ASN HB2 HC 0.079700 0.000000 0.000000 1.300000 1.300000 2333 ASN HB3 HC 0.079700 0.000000 0.000000 1.300000 1.300000 2334 ASN CG C 0.713000 0.713000 -0.004700 1.700000 1.700000 2335 ASN OD1 O -0.593100 -0.593100 0.119900 1.500000 1.500000 2336 ASN ND2 N -0.919100 -0.079900 0.633100 1.550000 1.550000 2337 ASN HD21 H 0.419600 0.000000 0.000000 1.300000 1.300000 2338 ASN HD22 H 0.419600 0.000000 0.000000 1.300000 1.300000 2339 ASN C C 0.597300 0.597300 0.075300 1.700000 1.700000 2340 ASN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2341 ARG N N -0.347900 -0.073200 0.416400 1.550000 1.550000 2342 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 2343 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 2344 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 2345 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 2346 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 2347 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 2348 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 2349 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 2350 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 2351 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 2352 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 2353 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 2354 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 2355 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 2356 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 2357 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 2358 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 2359 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 2360 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 2361 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 2362 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 2363 ARG C C 0.734100 0.734100 -0.036200 1.700000 1.700000 2364 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 2365 ARG N N -0.347900 -0.073200 0.553200 1.550000 1.550000 2366 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 2367 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 2368 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 2369 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 2370 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 2371 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 2372 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 2373 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 2374 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 2375 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 2376 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 2377 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 2378 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 2379 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 2380 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 2381 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 2382 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 2383 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 2384 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 2385 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 2386 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 2387 ARG C C 0.734100 0.734100 -0.217800 1.700000 1.700000 2388 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 2389 PRO N N -0.254800 -0.254800 0.614200 1.550000 1.550000 2390 PRO CD CT 0.019200 0.097400 -0.095900 1.700000 1.700000 2391 PRO HD2 H1 0.039100 0.000000 0.000000 1.300000 1.300000 2392 PRO HD3 H1 0.039100 0.000000 0.000000 1.300000 1.300000 2393 PRO CG CT 0.018900 0.061500 0.202500 1.700000 1.700000 2394 PRO HG2 HC 0.021300 0.000000 0.000000 1.300000 1.300000 2395 PRO HG3 HC 0.021300 0.000000 0.000000 1.300000 1.300000 2396 PRO CB CT -0.007000 0.043600 0.142600 1.700000 1.700000 2397 PRO HB2 HC 0.025300 0.000000 0.000000 1.300000 1.300000 2398 PRO HB3 HC 0.025300 0.000000 0.000000 1.300000 1.300000 2399 PRO CA CT -0.026600 0.037500 0.415900 1.700000 1.700000 2400 PRO HA H1 0.064100 0.000000 0.000000 1.300000 1.300000 2401 PRO C C 0.589600 0.589600 -0.091500 1.700000 1.700000 2402 PRO O O -0.574800 -0.574800 0.014800 1.500000 1.500000 2403 ILE N N -0.415700 -0.143800 0.473000 1.550000 1.550000 2404 ILE H H 0.271900 0.000000 0.000000 1.300000 1.300000 2405 ILE CA CT -0.059700 0.027200 0.629700 1.700000 1.700000 2406 ILE HA H1 0.086900 0.000000 0.000000 1.300000 1.300000 2407 ILE CB CT 0.130300 0.149000 0.124600 1.700000 1.700000 2408 ILE HB HC 0.018700 0.000000 0.000000 1.300000 1.300000 2409 ILE CG2 CT -0.320400 -0.055800 0.093200 1.700000 1.700000 2410 ILE HG21 HC 0.088200 0.000000 0.000000 1.300000 1.300000 2411 ILE HG22 HC 0.088200 0.000000 0.000000 1.300000 1.300000 2412 ILE HG23 HC 0.088200 0.000000 0.000000 1.300000 1.300000 2413 ILE CG1 CT -0.043000 0.004200 0.143000 1.700000 1.700000 2414 ILE HG12 HC 0.023600 0.000000 0.000000 1.300000 1.300000 2415 ILE HG13 HC 0.023600 0.000000 0.000000 1.300000 1.300000 2416 ILE CD1 CT -0.066000 -0.010200 -0.006000 1.700000 1.700000 2417 ILE HD11 HC 0.018600 0.000000 0.000000 1.300000 1.300000 2418 ILE HD12 HC 0.018600 0.000000 0.000000 1.300000 1.300000 2419 ILE HD13 HC 0.018600 0.000000 0.000000 1.300000 1.300000 2420 ILE C C 0.597300 0.597300 -0.087200 1.700000 1.700000 2421 ILE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2422 LEU N N -0.415700 -0.143800 0.493900 1.550000 1.550000 2423 LEU H H 0.271900 0.000000 0.000000 1.300000 1.300000 2424 LEU CA CT -0.051800 0.040400 0.475100 1.700000 1.700000 2425 LEU HA H1 0.092200 0.000000 0.000000 1.300000 1.300000 2426 LEU CB CT -0.110200 -0.018800 0.338600 1.700000 1.700000 2427 LEU HB2 HC 0.045700 0.000000 0.000000 1.300000 1.300000 2428 LEU HB3 HC 0.045700 0.000000 0.000000 1.300000 1.300000 2429 LEU CG CT 0.353100 0.317000 0.074000 1.700000 1.700000 2430 LEU HG HC -0.036100 0.000000 0.000000 1.300000 1.300000 2431 LEU CD1 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 2432 LEU HD11 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2433 LEU HD12 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2434 LEU HD13 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2435 LEU CD2 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 2436 LEU HD21 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2437 LEU HD22 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2438 LEU HD23 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2439 LEU C C 0.597300 0.597300 -0.074000 1.700000 1.700000 2440 LEU O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2441 THR N N -0.415700 -0.143800 0.515300 1.550000 1.550000 2442 THR H H 0.271900 0.000000 0.000000 1.300000 1.300000 2443 THR CA CT -0.038900 0.061800 0.885000 1.700000 1.700000 2444 THR HA H1 0.100700 0.000000 0.000000 1.300000 1.300000 2445 THR CB CT 0.365400 0.369700 0.114400 1.700000 1.700000 2446 THR HB H1 0.004300 0.000000 0.000000 1.300000 1.300000 2447 THR CG2 CT -0.243800 -0.051200 0.318500 1.700000 1.700000 2448 THR HG21 HC 0.064200 0.000000 0.000000 1.300000 1.300000 2449 THR HG22 HC 0.064200 0.000000 0.000000 1.300000 1.300000 2450 THR HG23 HC 0.064200 0.000000 0.000000 1.300000 1.300000 2451 THR OG1 OH -0.676100 -0.265900 0.103800 1.500000 1.500000 2452 THR HG1 HO 0.410200 0.000000 0.000000 0.800000 0.800000 2453 THR C C 0.597300 0.597300 -0.052600 1.700000 1.700000 2454 THR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2455 ILE N N -0.415700 -0.143800 0.480700 1.550000 1.550000 2456 ILE H H 0.271900 0.000000 0.000000 1.300000 1.300000 2457 ILE CA CT -0.059700 0.027200 0.629700 1.700000 1.700000 2458 ILE HA H1 0.086900 0.000000 0.000000 1.300000 1.300000 2459 ILE CB CT 0.130300 0.149000 0.124600 1.700000 1.700000 2460 ILE HB HC 0.018700 0.000000 0.000000 1.300000 1.300000 2461 ILE CG2 CT -0.320400 -0.055800 0.093200 1.700000 1.700000 2462 ILE HG21 HC 0.088200 0.000000 0.000000 1.300000 1.300000 2463 ILE HG22 HC 0.088200 0.000000 0.000000 1.300000 1.300000 2464 ILE HG23 HC 0.088200 0.000000 0.000000 1.300000 1.300000 2465 ILE CG1 CT -0.043000 0.004200 0.143000 1.700000 1.700000 2466 ILE HG12 HC 0.023600 0.000000 0.000000 1.300000 1.300000 2467 ILE HG13 HC 0.023600 0.000000 0.000000 1.300000 1.300000 2468 ILE CD1 CT -0.066000 -0.010200 -0.006000 1.700000 1.700000 2469 ILE HD11 HC 0.018600 0.000000 0.000000 1.300000 1.300000 2470 ILE HD12 HC 0.018600 0.000000 0.000000 1.300000 1.300000 2471 ILE HD13 HC 0.018600 0.000000 0.000000 1.300000 1.300000 2472 ILE C C 0.597300 0.597300 -0.087200 1.700000 1.700000 2473 ILE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2474 ILE N N -0.415700 -0.143800 0.480700 1.550000 1.550000 2475 ILE H H 0.271900 0.000000 0.000000 1.300000 1.300000 2476 ILE CA CT -0.059700 0.027200 0.629700 1.700000 1.700000 2477 ILE HA H1 0.086900 0.000000 0.000000 1.300000 1.300000 2478 ILE CB CT 0.130300 0.149000 0.124600 1.700000 1.700000 2479 ILE HB HC 0.018700 0.000000 0.000000 1.300000 1.300000 2480 ILE CG2 CT -0.320400 -0.055800 0.093200 1.700000 1.700000 2481 ILE HG21 HC 0.088200 0.000000 0.000000 1.300000 1.300000 2482 ILE HG22 HC 0.088200 0.000000 0.000000 1.300000 1.300000 2483 ILE HG23 HC 0.088200 0.000000 0.000000 1.300000 1.300000 2484 ILE CG1 CT -0.043000 0.004200 0.143000 1.700000 1.700000 2485 ILE HG12 HC 0.023600 0.000000 0.000000 1.300000 1.300000 2486 ILE HG13 HC 0.023600 0.000000 0.000000 1.300000 1.300000 2487 ILE CD1 CT -0.066000 -0.010200 -0.006000 1.700000 1.700000 2488 ILE HD11 HC 0.018600 0.000000 0.000000 1.300000 1.300000 2489 ILE HD12 HC 0.018600 0.000000 0.000000 1.300000 1.300000 2490 ILE HD13 HC 0.018600 0.000000 0.000000 1.300000 1.300000 2491 ILE C C 0.597300 0.597300 -0.087200 1.700000 1.700000 2492 ILE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2493 THR N N -0.415700 -0.143800 0.515300 1.550000 1.550000 2494 THR H H 0.271900 0.000000 0.000000 1.300000 1.300000 2495 THR CA CT -0.038900 0.061800 0.885000 1.700000 1.700000 2496 THR HA H1 0.100700 0.000000 0.000000 1.300000 1.300000 2497 THR CB CT 0.365400 0.369700 0.114400 1.700000 1.700000 2498 THR HB H1 0.004300 0.000000 0.000000 1.300000 1.300000 2499 THR CG2 CT -0.243800 -0.051200 0.318500 1.700000 1.700000 2500 THR HG21 HC 0.064200 0.000000 0.000000 1.300000 1.300000 2501 THR HG22 HC 0.064200 0.000000 0.000000 1.300000 1.300000 2502 THR HG23 HC 0.064200 0.000000 0.000000 1.300000 1.300000 2503 THR OG1 OH -0.676100 -0.265900 0.103800 1.500000 1.500000 2504 THR HG1 HO 0.410200 0.000000 0.000000 0.800000 0.800000 2505 THR C C 0.597300 0.597300 -0.052600 1.700000 1.700000 2506 THR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2507 LEU N N -0.415700 -0.143800 0.493900 1.550000 1.550000 2508 LEU H H 0.271900 0.000000 0.000000 1.300000 1.300000 2509 LEU CA CT -0.051800 0.040400 0.475100 1.700000 1.700000 2510 LEU HA H1 0.092200 0.000000 0.000000 1.300000 1.300000 2511 LEU CB CT -0.110200 -0.018800 0.338600 1.700000 1.700000 2512 LEU HB2 HC 0.045700 0.000000 0.000000 1.300000 1.300000 2513 LEU HB3 HC 0.045700 0.000000 0.000000 1.300000 1.300000 2514 LEU CG CT 0.353100 0.317000 0.074000 1.700000 1.700000 2515 LEU HG HC -0.036100 0.000000 0.000000 1.300000 1.300000 2516 LEU CD1 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 2517 LEU HD11 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2518 LEU HD12 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2519 LEU HD13 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2520 LEU CD2 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 2521 LEU HD21 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2522 LEU HD22 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2523 LEU HD23 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2524 LEU C C 0.597300 0.597300 -0.152900 1.700000 1.700000 2525 LEU O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2526 GLU N N -0.516300 -0.222700 0.524800 1.550000 1.550000 2527 GLU H H 0.293600 0.000000 0.000000 1.300000 1.300000 2528 GLU CA CT 0.039700 0.150200 0.485500 1.700000 1.700000 2529 GLU HA H1 0.110500 0.000000 0.000000 1.300000 1.300000 2530 GLU CB CT 0.056000 0.021400 0.100200 1.700000 1.700000 2531 GLU HB2 HC -0.017300 0.000000 0.000000 1.300000 1.300000 2532 GLU HB3 HC -0.017300 0.000000 0.000000 1.300000 1.300000 2533 GLU CG CT 0.013600 -0.071400 0.755400 1.700000 1.700000 2534 GLU HG2 HC -0.042500 0.000000 0.000000 1.300000 1.300000 2535 GLU HG3 HC -0.042500 0.000000 0.000000 1.300000 1.300000 2536 GLU CD C 0.805400 0.805400 -0.903600 1.700000 1.700000 2537 GLU OE1 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 2538 GLU OE2 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 2539 GLU C C 0.536600 0.536600 -0.117800 1.700000 1.700000 2540 GLU O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 2541 ASP N N -0.516300 -0.222700 0.440000 1.550000 1.550000 2542 ASP H H 0.293600 0.000000 0.000000 1.300000 1.300000 2543 ASP CA CT 0.038100 0.126100 0.385300 1.700000 1.700000 2544 ASP HA H1 0.088000 0.000000 0.000000 1.300000 1.300000 2545 ASP CB CT -0.030300 -0.054700 0.870800 1.700000 1.700000 2546 ASP HB2 HC -0.012200 0.000000 0.000000 1.300000 1.300000 2547 ASP HB3 HC -0.012200 0.000000 0.000000 1.300000 1.300000 2548 ASP CG C 0.799400 0.799400 -0.858100 1.700000 1.700000 2549 ASP OD1 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 2550 ASP OD2 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 2551 ASP C C 0.536600 0.536600 -0.063000 1.700000 1.700000 2552 ASP O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 2553 SER N N -0.415700 -0.143800 0.452200 1.550000 1.550000 2554 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 2555 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 2556 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 2557 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 2558 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 2559 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 2560 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 2561 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 2562 SER C C 0.597300 0.597300 -0.055000 1.700000 1.700000 2563 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2564 SER N N -0.415700 -0.143800 0.512900 1.550000 1.550000 2565 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 2566 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 2567 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 2568 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 2569 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 2570 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 2571 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 2572 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 2573 SER C C 0.597300 0.597300 -0.055000 1.700000 1.700000 2574 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2575 GLY N N -0.415700 -0.143800 0.567900 1.550000 1.550000 2576 GLY H H 0.271900 0.000000 0.000000 1.300000 1.300000 2577 GLY CA CT -0.025200 0.114400 0.567900 1.700000 1.700000 2578 GLY HA2 H1 0.069800 0.000000 0.000000 1.300000 1.300000 2579 GLY HA3 H1 0.069800 0.000000 0.000000 1.300000 1.300000 2580 GLY C C 0.597300 0.597300 0.000000 1.700000 1.700000 2581 GLY O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2582 ASN N N -0.415700 -0.143800 0.572600 1.550000 1.550000 2583 ASN H H 0.271900 0.000000 0.000000 1.300000 1.300000 2584 ASN CA CT 0.014300 0.119100 0.527900 1.700000 1.700000 2585 ASN HA H1 0.104800 0.000000 0.000000 1.300000 1.300000 2586 ASN CB CT -0.204100 -0.044700 0.787400 1.700000 1.700000 2587 ASN HB2 HC 0.079700 0.000000 0.000000 1.300000 1.300000 2588 ASN HB3 HC 0.079700 0.000000 0.000000 1.300000 1.300000 2589 ASN CG C 0.713000 0.713000 -0.004700 1.700000 1.700000 2590 ASN OD1 O -0.593100 -0.593100 0.119900 1.500000 1.500000 2591 ASN ND2 N -0.919100 -0.079900 0.633100 1.550000 1.550000 2592 ASN HD21 H 0.419600 0.000000 0.000000 1.300000 1.300000 2593 ASN HD22 H 0.419600 0.000000 0.000000 1.300000 1.300000 2594 ASN C C 0.597300 0.597300 0.004700 1.700000 1.700000 2595 ASN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2596 LEU N N -0.415700 -0.143800 0.493900 1.550000 1.550000 2597 LEU H H 0.271900 0.000000 0.000000 1.300000 1.300000 2598 LEU CA CT -0.051800 0.040400 0.475100 1.700000 1.700000 2599 LEU HA H1 0.092200 0.000000 0.000000 1.300000 1.300000 2600 LEU CB CT -0.110200 -0.018800 0.338600 1.700000 1.700000 2601 LEU HB2 HC 0.045700 0.000000 0.000000 1.300000 1.300000 2602 LEU HB3 HC 0.045700 0.000000 0.000000 1.300000 1.300000 2603 LEU CG CT 0.353100 0.317000 0.074000 1.700000 1.700000 2604 LEU HG HC -0.036100 0.000000 0.000000 1.300000 1.300000 2605 LEU CD1 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 2606 LEU HD11 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2607 LEU HD12 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2608 LEU HD13 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2609 LEU CD2 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 2610 LEU HD21 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2611 LEU HD22 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2612 LEU HD23 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2613 LEU C C 0.597300 0.597300 -0.074000 1.700000 1.700000 2614 LEU O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2615 LEU N N -0.415700 -0.143800 0.493900 1.550000 1.550000 2616 LEU H H 0.271900 0.000000 0.000000 1.300000 1.300000 2617 LEU CA CT -0.051800 0.040400 0.475100 1.700000 1.700000 2618 LEU HA H1 0.092200 0.000000 0.000000 1.300000 1.300000 2619 LEU CB CT -0.110200 -0.018800 0.338600 1.700000 1.700000 2620 LEU HB2 HC 0.045700 0.000000 0.000000 1.300000 1.300000 2621 LEU HB3 HC 0.045700 0.000000 0.000000 1.300000 1.300000 2622 LEU CG CT 0.353100 0.317000 0.074000 1.700000 1.700000 2623 LEU HG HC -0.036100 0.000000 0.000000 1.300000 1.300000 2624 LEU CD1 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 2625 LEU HD11 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2626 LEU HD12 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2627 LEU HD13 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2628 LEU CD2 CT -0.412100 -0.112100 0.204900 1.700000 1.700000 2629 LEU HD21 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2630 LEU HD22 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2631 LEU HD23 HC 0.100000 0.000000 0.000000 1.300000 1.300000 2632 LEU C C 0.597300 0.597300 -0.074000 1.700000 1.700000 2633 LEU O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2634 GLY N N -0.415700 -0.143800 0.567900 1.550000 1.550000 2635 GLY H H 0.271900 0.000000 0.000000 1.300000 1.300000 2636 GLY CA CT -0.025200 0.114400 0.567900 1.700000 1.700000 2637 GLY HA2 H1 0.069800 0.000000 0.000000 1.300000 1.300000 2638 GLY HA3 H1 0.069800 0.000000 0.000000 1.300000 1.300000 2639 GLY C C 0.597300 0.597300 0.070600 1.700000 1.700000 2640 GLY O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2641 ARG N N -0.347900 -0.073200 0.416400 1.550000 1.550000 2642 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 2643 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 2644 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 2645 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 2646 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 2647 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 2648 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 2649 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 2650 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 2651 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 2652 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 2653 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 2654 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 2655 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 2656 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 2657 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 2658 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 2659 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 2660 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 2661 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 2662 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 2663 ARG C C 0.734100 0.734100 -0.106800 1.700000 1.700000 2664 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 2665 ASN N N -0.415700 -0.143800 0.709400 1.550000 1.550000 2666 ASN H H 0.271900 0.000000 0.000000 1.300000 1.300000 2667 ASN CA CT 0.014300 0.119100 0.527900 1.700000 1.700000 2668 ASN HA H1 0.104800 0.000000 0.000000 1.300000 1.300000 2669 ASN CB CT -0.204100 -0.044700 0.787400 1.700000 1.700000 2670 ASN HB2 HC 0.079700 0.000000 0.000000 1.300000 1.300000 2671 ASN HB3 HC 0.079700 0.000000 0.000000 1.300000 1.300000 2672 ASN CG C 0.713000 0.713000 -0.004700 1.700000 1.700000 2673 ASN OD1 O -0.593100 -0.593100 0.119900 1.500000 1.500000 2674 ASN ND2 N -0.919100 -0.079900 0.633100 1.550000 1.550000 2675 ASN HD21 H 0.419600 0.000000 0.000000 1.300000 1.300000 2676 ASN HD22 H 0.419600 0.000000 0.000000 1.300000 1.300000 2677 ASN C C 0.597300 0.597300 0.004700 1.700000 1.700000 2678 ASN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2679 SER N N -0.415700 -0.143800 0.512900 1.550000 1.550000 2680 SER H H 0.271900 0.000000 0.000000 1.300000 1.300000 2681 SER CA CT -0.024900 0.059400 0.795000 1.700000 1.700000 2682 SER HA H1 0.084300 0.000000 0.000000 1.300000 1.300000 2683 SER CB CT 0.211700 0.282100 0.114400 1.700000 1.700000 2684 SER HB2 H1 0.035200 0.000000 0.000000 1.300000 1.300000 2685 SER HB3 H1 0.035200 0.000000 0.000000 1.300000 1.300000 2686 SER OG OH -0.654600 -0.227100 0.055000 1.500000 1.500000 2687 SER HG HO 0.427500 0.000000 0.000000 0.800000 0.800000 2688 SER C C 0.597300 0.597300 -0.055000 1.700000 1.700000 2689 SER O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2690 PHE N N -0.415700 -0.143800 0.548900 1.550000 1.550000 2691 PHE H H 0.271900 0.000000 0.000000 1.300000 1.300000 2692 PHE CA CT -0.002400 0.095400 0.573600 1.700000 1.700000 2693 PHE HA H1 0.097800 0.000000 0.000000 1.300000 1.300000 2694 PHE CB CT -0.034300 0.024700 0.131900 1.700000 1.700000 2695 PHE HB2 HC 0.029500 0.000000 0.000000 1.300000 1.300000 2696 PHE HB3 HC 0.029500 0.000000 0.000000 1.300000 1.300000 2697 PHE CG CA 0.011800 0.011800 0.051300 1.700000 1.700000 2698 PHE CD1 CA -0.125600 0.007400 -0.008200 1.700000 1.700000 2699 PHE HD1 HA 0.133000 0.000000 0.000000 1.300000 1.300000 2700 PHE CE1 CA -0.170400 -0.027400 0.002500 1.700000 1.700000 2701 PHE HE1 HA 0.143000 0.000000 0.000000 1.300000 1.300000 2702 PHE CZ CA -0.107200 0.022500 -0.032300 1.700000 1.700000 2703 PHE HZ HA 0.129700 0.000000 0.000000 1.300000 1.300000 2704 PHE CE2 CA -0.170400 -0.027400 0.002500 1.700000 1.700000 2705 PHE HE2 HA 0.143000 0.000000 0.000000 1.300000 1.300000 2706 PHE CD2 CA -0.125600 0.007400 -0.008200 1.700000 1.700000 2707 PHE HD2 HA 0.133000 0.000000 0.000000 1.300000 1.300000 2708 PHE C C 0.597300 0.597300 -0.097900 1.700000 1.700000 2709 PHE O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2710 GLU N N -0.516300 -0.222700 0.524800 1.550000 1.550000 2711 GLU H H 0.293600 0.000000 0.000000 1.300000 1.300000 2712 GLU CA CT 0.039700 0.150200 0.485500 1.700000 1.700000 2713 GLU HA H1 0.110500 0.000000 0.000000 1.300000 1.300000 2714 GLU CB CT 0.056000 0.021400 0.100200 1.700000 1.700000 2715 GLU HB2 HC -0.017300 0.000000 0.000000 1.300000 1.300000 2716 GLU HB3 HC -0.017300 0.000000 0.000000 1.300000 1.300000 2717 GLU CG CT 0.013600 -0.071400 0.755400 1.700000 1.700000 2718 GLU HG2 HC -0.042500 0.000000 0.000000 1.300000 1.300000 2719 GLU HG3 HC -0.042500 0.000000 0.000000 1.300000 1.300000 2720 GLU CD C 0.805400 0.805400 -0.903600 1.700000 1.700000 2721 GLU OE1 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 2722 GLU OE2 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 2723 GLU C C 0.536600 0.536600 -0.038900 1.700000 1.700000 2724 GLU O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 2725 VAL N N -0.415700 -0.143800 0.402200 1.550000 1.550000 2726 VAL H H 0.271900 0.000000 0.000000 1.300000 1.300000 2727 VAL CA CT -0.087500 0.009400 0.731700 1.700000 1.700000 2728 VAL HA H1 0.096900 0.000000 0.000000 1.300000 1.300000 2729 VAL CB CT 0.298500 0.268800 0.114400 1.700000 1.700000 2730 VAL HB HC -0.029700 0.000000 0.000000 1.300000 1.300000 2731 VAL CG1 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 2732 VAL HG11 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2733 VAL HG12 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2734 VAL HG13 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2735 VAL CG2 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 2736 VAL HG21 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2737 VAL HG22 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2738 VAL HG23 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2739 VAL C C 0.597300 0.597300 -0.034400 1.700000 1.700000 2740 VAL O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2741 ARG N N -0.347900 -0.073200 0.416400 1.550000 1.550000 2742 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 2743 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 2744 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 2745 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 2746 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 2747 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 2748 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 2749 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 2750 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 2751 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 2752 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 2753 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 2754 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 2755 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 2756 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 2757 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 2758 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 2759 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 2760 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 2761 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 2762 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 2763 ARG C C 0.734100 0.734100 -0.106800 1.700000 1.700000 2764 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 2765 VAL N N -0.415700 -0.143800 0.599700 1.550000 1.550000 2766 VAL H H 0.271900 0.000000 0.000000 1.300000 1.300000 2767 VAL CA CT -0.087500 0.009400 0.731700 1.700000 1.700000 2768 VAL HA H1 0.096900 0.000000 0.000000 1.300000 1.300000 2769 VAL CB CT 0.298500 0.268800 0.114400 1.700000 1.700000 2770 VAL HB HC -0.029700 0.000000 0.000000 1.300000 1.300000 2771 VAL CG1 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 2772 VAL HG11 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2773 VAL HG12 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2774 VAL HG13 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2775 VAL CG2 CT -0.319200 -0.081900 0.186900 1.700000 1.700000 2776 VAL HG21 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2777 VAL HG22 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2778 VAL HG23 HC 0.079100 0.000000 0.000000 1.300000 1.300000 2779 VAL C C 0.597300 0.597300 -0.105000 1.700000 1.700000 2780 VAL O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2781 CYS N N -0.415700 -0.143800 0.587200 1.550000 1.550000 2782 CYS H H 0.271900 0.000000 0.000000 1.300000 1.300000 2783 CYS CA CT 0.021300 0.133700 0.686500 1.700000 1.700000 2784 CYS HA H1 0.112400 0.000000 0.000000 1.300000 1.300000 2785 CYS CB CT -0.123100 0.099300 0.114400 1.700000 1.700000 2786 CYS HB2 H1 0.111200 0.000000 0.000000 1.300000 1.300000 2787 CYS HB3 H1 0.111200 0.000000 0.000000 1.300000 1.300000 2788 CYS SG SH -0.311900 -0.118600 -0.019300 1.800000 1.800000 2789 CYS HG HS 0.193300 0.000000 0.000000 0.800000 0.800000 2790 CYS C C 0.597300 0.597300 0.019300 1.700000 1.700000 2791 CYS O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2792 ALA N N -0.415700 -0.143800 0.569500 1.550000 1.550000 2793 ALA H H 0.271900 0.000000 0.000000 1.300000 1.300000 2794 ALA CA CT 0.033700 0.116000 0.567900 1.700000 1.700000 2795 ALA HA H1 0.082300 0.000000 0.000000 1.300000 1.300000 2796 ALA CB CT -0.182500 -0.001600 0.114400 1.700000 1.700000 2797 ALA HB1 HC 0.060300 0.000000 0.000000 1.300000 1.300000 2798 ALA HB2 HC 0.060300 0.000000 0.000000 1.300000 1.300000 2799 ALA HB3 HC 0.060300 0.000000 0.000000 1.300000 1.300000 2800 ALA C C 0.597300 0.597300 0.001600 1.700000 1.700000 2801 ALA O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2802 CYS N N -0.415700 -0.143800 0.587200 1.550000 1.550000 2803 CYS H H 0.271900 0.000000 0.000000 1.300000 1.300000 2804 CYS CA CT 0.021300 0.133700 0.686500 1.700000 1.700000 2805 CYS HA H1 0.112400 0.000000 0.000000 1.300000 1.300000 2806 CYS CB CT -0.123100 0.099300 0.114400 1.700000 1.700000 2807 CYS HB2 H1 0.111200 0.000000 0.000000 1.300000 1.300000 2808 CYS HB3 H1 0.111200 0.000000 0.000000 1.300000 1.300000 2809 CYS SG SH -0.311900 -0.118600 -0.019300 1.800000 1.800000 2810 CYS HG HS 0.193300 0.000000 0.000000 0.800000 0.800000 2811 CYS C C 0.597300 0.597300 -0.091700 1.700000 1.700000 2812 CYS O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2813 PRO N N -0.254800 -0.254800 0.477400 1.550000 1.550000 2814 PRO CD CT 0.019200 0.097400 -0.095900 1.700000 1.700000 2815 PRO HD2 H1 0.039100 0.000000 0.000000 1.300000 1.300000 2816 PRO HD3 H1 0.039100 0.000000 0.000000 1.300000 1.300000 2817 PRO CG CT 0.018900 0.061500 0.202500 1.700000 1.700000 2818 PRO HG2 HC 0.021300 0.000000 0.000000 1.300000 1.300000 2819 PRO HG3 HC 0.021300 0.000000 0.000000 1.300000 1.300000 2820 PRO CB CT -0.007000 0.043600 0.142600 1.700000 1.700000 2821 PRO HB2 HC 0.025300 0.000000 0.000000 1.300000 1.300000 2822 PRO HB3 HC 0.025300 0.000000 0.000000 1.300000 1.300000 2823 PRO CA CT -0.026600 0.037500 0.415900 1.700000 1.700000 2824 PRO HA H1 0.064100 0.000000 0.000000 1.300000 1.300000 2825 PRO C C 0.589600 0.589600 -0.091500 1.700000 1.700000 2826 PRO O O -0.574800 -0.574800 0.014800 1.500000 1.500000 2827 GLY N N -0.415700 -0.143800 0.560200 1.550000 1.550000 2828 GLY H H 0.271900 0.000000 0.000000 1.300000 1.300000 2829 GLY CA CT -0.025200 0.114400 0.567900 1.700000 1.700000 2830 GLY HA2 H1 0.069800 0.000000 0.000000 1.300000 1.300000 2831 GLY HA3 H1 0.069800 0.000000 0.000000 1.300000 1.300000 2832 GLY C C 0.597300 0.597300 0.070600 1.700000 1.700000 2833 GLY O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2834 ARG N N -0.347900 -0.073200 0.416400 1.550000 1.550000 2835 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 2836 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 2837 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 2838 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 2839 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 2840 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 2841 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 2842 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 2843 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 2844 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 2845 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 2846 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 2847 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 2848 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 2849 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 2850 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 2851 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 2852 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 2853 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 2854 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 2855 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 2856 ARG C C 0.734100 0.734100 -0.185700 1.700000 1.700000 2857 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 2858 ASP N N -0.516300 -0.222700 0.637500 1.550000 1.550000 2859 ASP H H 0.293600 0.000000 0.000000 1.300000 1.300000 2860 ASP CA CT 0.038100 0.126100 0.385300 1.700000 1.700000 2861 ASP HA H1 0.088000 0.000000 0.000000 1.300000 1.300000 2862 ASP CB CT -0.030300 -0.054700 0.870800 1.700000 1.700000 2863 ASP HB2 HC -0.012200 0.000000 0.000000 1.300000 1.300000 2864 ASP HB3 HC -0.012200 0.000000 0.000000 1.300000 1.300000 2865 ASP CG C 0.799400 0.799400 -0.858100 1.700000 1.700000 2866 ASP OD1 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 2867 ASP OD2 O2 -0.801400 -0.801400 -0.002000 1.500000 1.500000 2868 ASP C C 0.536600 0.536600 0.007600 1.700000 1.700000 2869 ASP O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 2870 ARG N N -0.347900 -0.073200 0.355700 1.550000 1.550000 2871 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 2872 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 2873 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 2874 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 2875 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 2876 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 2877 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 2878 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 2879 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 2880 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 2881 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 2882 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 2883 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 2884 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 2885 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 2886 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 2887 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 2888 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 2889 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 2890 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 2891 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 2892 ARG C C 0.734100 0.734100 -0.036200 1.700000 1.700000 2893 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 2894 ARG N N -0.347900 -0.073200 0.553200 1.550000 1.550000 2895 ARG H H 0.274700 0.000000 0.000000 1.300000 1.300000 2896 ARG CA CT -0.263700 -0.107700 0.617900 1.700000 1.700000 2897 ARG HA H1 0.156000 0.000000 0.000000 1.300000 1.300000 2898 ARG CB CT -0.000700 0.064700 0.053000 1.700000 1.700000 2899 ARG HB2 HC 0.032700 0.000000 0.000000 1.300000 1.300000 2900 ARG HB3 HC 0.032700 0.000000 0.000000 1.300000 1.300000 2901 ARG CG CT 0.039000 0.096000 0.346700 1.700000 1.700000 2902 ARG HG2 HC 0.028500 0.000000 0.000000 1.300000 1.300000 2903 ARG HG3 HC 0.028500 0.000000 0.000000 1.300000 1.300000 2904 ARG CD CT 0.048600 0.186000 0.098100 1.700000 1.700000 2905 ARG HD2 H1 0.068700 0.000000 0.000000 1.300000 1.300000 2906 ARG HD3 H1 0.068700 0.000000 0.000000 1.300000 1.300000 2907 ARG NE N2 -0.529500 -0.183900 0.809700 1.550000 1.550000 2908 ARG HE H 0.345600 0.000000 0.000000 1.300000 1.300000 2909 ARG CZ CA 0.807600 0.807600 0.689500 1.700000 1.700000 2910 ARG NH1 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 2911 ARG HH11 H 0.447800 0.000000 0.000000 1.300000 1.300000 2912 ARG HH12 H 0.447800 0.000000 0.000000 1.300000 1.300000 2913 ARG NH2 N2 -0.862700 0.032900 0.840500 1.550000 1.550000 2914 ARG HH21 H 0.447800 0.000000 0.000000 1.300000 1.300000 2915 ARG HH22 H 0.447800 0.000000 0.000000 1.300000 1.300000 2916 ARG C C 0.734100 0.734100 -0.106800 1.700000 1.700000 2917 ARG O O -0.589400 -0.589400 0.144700 1.500000 1.500000 2918 THR N N -0.415700 -0.143800 0.652100 1.550000 1.550000 2919 THR H H 0.271900 0.000000 0.000000 1.300000 1.300000 2920 THR CA CT -0.038900 0.061800 0.885000 1.700000 1.700000 2921 THR HA H1 0.100700 0.000000 0.000000 1.300000 1.300000 2922 THR CB CT 0.365400 0.369700 0.114400 1.700000 1.700000 2923 THR HB H1 0.004300 0.000000 0.000000 1.300000 1.300000 2924 THR CG2 CT -0.243800 -0.051200 0.318500 1.700000 1.700000 2925 THR HG21 HC 0.064200 0.000000 0.000000 1.300000 1.300000 2926 THR HG22 HC 0.064200 0.000000 0.000000 1.300000 1.300000 2927 THR HG23 HC 0.064200 0.000000 0.000000 1.300000 1.300000 2928 THR OG1 OH -0.676100 -0.265900 0.103800 1.500000 1.500000 2929 THR HG1 HO 0.410200 0.000000 0.000000 0.800000 0.800000 2930 THR C C 0.597300 0.597300 -0.131500 1.700000 1.700000 2931 THR O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2932 GLU N N -0.516300 -0.222700 0.524800 1.550000 1.550000 2933 GLU H H 0.293600 0.000000 0.000000 1.300000 1.300000 2934 GLU CA CT 0.039700 0.150200 0.485500 1.700000 1.700000 2935 GLU HA H1 0.110500 0.000000 0.000000 1.300000 1.300000 2936 GLU CB CT 0.056000 0.021400 0.100200 1.700000 1.700000 2937 GLU HB2 HC -0.017300 0.000000 0.000000 1.300000 1.300000 2938 GLU HB3 HC -0.017300 0.000000 0.000000 1.300000 1.300000 2939 GLU CG CT 0.013600 -0.071400 0.755400 1.700000 1.700000 2940 GLU HG2 HC -0.042500 0.000000 0.000000 1.300000 1.300000 2941 GLU HG3 HC -0.042500 0.000000 0.000000 1.300000 1.300000 2942 GLU CD C 0.805400 0.805400 -0.903600 1.700000 1.700000 2943 GLU OE1 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 2944 GLU OE2 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 2945 GLU C C 0.536600 0.536600 -0.117800 1.700000 1.700000 2946 GLU O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 2947 GLU N N -0.516300 -0.222700 0.464100 1.550000 1.550000 2948 GLU H H 0.293600 0.000000 0.000000 1.300000 1.300000 2949 GLU CA CT 0.039700 0.150200 0.485500 1.700000 1.700000 2950 GLU HA H1 0.110500 0.000000 0.000000 1.300000 1.300000 2951 GLU CB CT 0.056000 0.021400 0.100200 1.700000 1.700000 2952 GLU HB2 HC -0.017300 0.000000 0.000000 1.300000 1.300000 2953 GLU HB3 HC -0.017300 0.000000 0.000000 1.300000 1.300000 2954 GLU CG CT 0.013600 -0.071400 0.755400 1.700000 1.700000 2955 GLU HG2 HC -0.042500 0.000000 0.000000 1.300000 1.300000 2956 GLU HG3 HC -0.042500 0.000000 0.000000 1.300000 1.300000 2957 GLU CD C 0.805400 0.805400 -0.903600 1.700000 1.700000 2958 GLU OE1 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 2959 GLU OE2 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 2960 GLU C C 0.536600 0.536600 -0.117800 1.700000 1.700000 2961 GLU O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 2962 GLU N N -0.516300 -0.222700 0.464100 1.550000 1.550000 2963 GLU H H 0.293600 0.000000 0.000000 1.300000 1.300000 2964 GLU CA CT 0.039700 0.150200 0.485500 1.700000 1.700000 2965 GLU HA H1 0.110500 0.000000 0.000000 1.300000 1.300000 2966 GLU CB CT 0.056000 0.021400 0.100200 1.700000 1.700000 2967 GLU HB2 HC -0.017300 0.000000 0.000000 1.300000 1.300000 2968 GLU HB3 HC -0.017300 0.000000 0.000000 1.300000 1.300000 2969 GLU CG CT 0.013600 -0.071400 0.755400 1.700000 1.700000 2970 GLU HG2 HC -0.042500 0.000000 0.000000 1.300000 1.300000 2971 GLU HG3 HC -0.042500 0.000000 0.000000 1.300000 1.300000 2972 GLU CD C 0.805400 0.805400 -0.903600 1.700000 1.700000 2973 GLU OE1 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 2974 GLU OE2 O2 -0.818800 -0.818800 -0.013400 1.500000 1.500000 2975 GLU C C 0.536600 0.536600 -0.038900 1.700000 1.700000 2976 GLU O O -0.581900 -0.581900 -0.045300 1.500000 1.500000 2977 ASN N N -0.415700 -0.143800 0.511900 1.550000 1.550000 2978 ASN H H 0.271900 0.000000 0.000000 1.300000 1.300000 2979 ASN CA CT 0.014300 0.119100 0.527900 1.700000 1.700000 2980 ASN HA H1 0.104800 0.000000 0.000000 1.300000 1.300000 2981 ASN CB CT -0.204100 -0.044700 0.787400 1.700000 1.700000 2982 ASN HB2 HC 0.079700 0.000000 0.000000 1.300000 1.300000 2983 ASN HB3 HC 0.079700 0.000000 0.000000 1.300000 1.300000 2984 ASN CG C 0.713000 0.713000 -0.004700 1.700000 1.700000 2985 ASN OD1 O -0.593100 -0.593100 0.119900 1.500000 1.500000 2986 ASN ND2 N -0.919100 -0.079900 0.633100 1.550000 1.550000 2987 ASN HD21 H 0.419600 0.000000 0.000000 1.300000 1.300000 2988 ASN HD22 H 0.419600 0.000000 0.000000 1.300000 1.300000 2989 ASN C C 0.597300 0.597300 0.034500 1.700000 1.700000 2990 ASN O O -0.567900 -0.567900 0.029400 1.500000 1.500000 2991 LEU N N -0.382100 -0.114000 0.333200 1.550000 1.550000 2992 LEU H H 0.268100 0.000000 0.000000 1.300000 1.300000 2993 LEU CA CT -0.284700 -0.150100 0.516400 1.700000 1.700000 2994 LEU HA H1 0.134600 0.000000 0.000000 1.300000 1.300000 2995 LEU CB CT -0.246900 -0.052100 0.131000 1.700000 1.700000 2996 LEU HB2 HC 0.097400 0.000000 0.000000 1.300000 1.300000 2997 LEU HB3 HC 0.097400 0.000000 0.000000 1.300000 1.300000 2998 LEU CG CT 0.370600 0.333200 0.071300 1.700000 1.700000 2999 LEU HG HC -0.037400 0.000000 0.000000 1.300000 1.300000 3000 LEU CD1 CT -0.416300 -0.104900 0.228300 1.700000 1.700000 3001 LEU HD11 HC 0.103800 0.000000 0.000000 1.300000 1.300000 3002 LEU HD12 HC 0.103800 0.000000 0.000000 1.300000 1.300000 3003 LEU HD13 HC 0.103800 0.000000 0.000000 1.300000 1.300000 3004 LEU CD2 CT -0.416300 -0.104900 0.228300 1.700000 1.700000 3005 LEU HD21 HC 0.103800 0.000000 0.000000 1.300000 1.300000 3006 LEU HD22 HC 0.103800 0.000000 0.000000 1.300000 1.300000 3007 LEU HD23 HC 0.103800 0.000000 0.000000 1.300000 1.300000 3008 LEU C C 0.832600 0.832600 -0.957300 1.700000 1.700000 3009 LEU O O2 -0.819900 -0.819900 0.012700 1.500000 1.500000 3010 LEU OXT O2 -0.819900 -0.819900 0.012700 1.500000 1.500000 total system charges (+/-) for PB 3.0000 385.9296 -382.9296 cavity_surften = 0.0436 cavity_offset = -1.0080 SAS Surface: surface dots generated: 366 -------------------------------------------------------------------------------- 3. ATOMIC COORDINATES AND VELOCITIES -------------------------------------------------------------------------------- begin time read from input coords = 0.000 ps Number of triangulated 3-point waters found: 0 -------------------------------------------------------------------------------- 4. RESULTS -------------------------------------------------------------------------------- NB-update: atom-based nb list 314091 ======== Setting up Grid Parameters ======== Using bounding box for grid setup Bounding Box at level: 2 Bounding Box Center: 70.500 14.000 84.500 Xmin, Xmax, Xmax-Xmin: 44.120 97.061 52.942 Ymin, Ymax, Ymax-Ymin: -11.710 39.287 50.997 Zmin, Zmax, Zmax-Zmin: 59.598 109.476 49.878 beginning box center at level 2 70.500 14.000 84.500 Grid dimension at level 2 123 119 117 Grid origin corrected at level 2 39.500 -16.000 55.000 multiblock range: 35.500 107.500 -20.500 51.500 49.500 121.500 Grid dimension at level/block 2 1 177 177 177 Grid orig at level/block 2 1 27.000 -29.000 41.000 Block inner limits 36.000 107.500 Block inner limits -20.000 51.500 Block inner limits 50.000 121.500 Bounding Box at level: 1 Bounding Box Center: 70.500 14.000 84.500 Xmin, Xmax, Xmax-Xmin: 44.120 97.061 52.942 Ymin, Ymax, Ymax-Ymin: -11.710 39.287 50.997 Zmin, Zmax, Zmax-Zmin: 59.598 109.476 49.878 beginning box center at level 1 70.500 14.000 84.500 Grid dimension at level 1 55 53 51 Grid origin corrected at level 1 14.500 -40.000 32.500 ======== Setting up Solvent Accessibility Data ======== Setting up working radii Number of SA srf points exposed 33057 Atomic solvent accessible surface area: 1 0.0000000000000 2 7.2187962340684 3 30.3189441830871 4 2.5987666442646 5 0.0000000000000 6 16.1701035643131 7 0.7478020545922 8 25.1214108945579 9 8.6625554808820 10 23.0967145144246 11 12.4592474550237 12 0.0000000000000 13 1.9797183869507 14 0.0000000000000 15 2.3100147949019 16 0.0000000000000 17 0.0000000000000 18 0.0000000000000 19 17.6138628111268 20 0.0000000000000 21 0.0000000000000 22 8.0850517821566 23 6.6412925353429 24 0.0000000000000 25 5.4862851378919 26 4.6200295898037 27 0.0000000000000 28 1.4956041091844 29 18.8073246760315 30 0.0000000000000 31 0.0000000000000 32 0.0000000000000 33 0.2887518493627 34 0.0000000000000 35 0.0000000000000 36 0.2887518493627 37 0.0000000000000 38 1.7325110961764 39 21.3676368528423 40 0.0000000000000 41 11.2613221251466 42 0.0000000000000 43 0.0000000000000 44 0.0000000000000 45 5.1975332885292 46 0.0000000000000 47 2.0212629455391 48 1.1217030818883 49 26.8539219907343 50 2.3100147949019 51 10.5584980637370 52 6.7240383090604 53 0.0000000000000 54 0.0000000000000 55 0.0000000000000 56 0.0000000000000 57 0.0000000000000 58 0.0000000000000 59 0.0000000000000 60 0.0000000000000 61 0.0000000000000 62 0.3739010272961 63 9.8175628783330 64 15.3038480162249 65 4.1129113002571 66 3.9594367739014 67 5.4509207615728 68 5.7750369872547 69 14.4375924681367 70 0.0000000000000 71 2.6396245159342 72 0.0000000000000 73 0.0000000000000 74 0.0000000000000 75 9.5288110289702 76 0.0000000000000 77 9.2400591796075 78 0.0000000000000 79 0.0000000000000 80 0.0000000000000 81 14.4375924681367 82 0.0000000000000 83 17.3251109617640 84 8.9513073302448 85 0.0000000000000 86 10.3950665770584 87 24.2551553464697 88 0.0000000000000 89 23.1001479490187 90 32.9177108273517 91 28.2976812375479 92 0.0000000000000 93 0.0000000000000 94 0.0000000000000 95 1.1550073974509 96 0.0000000000000 97 0.0000000000000 98 0.0000000000000 99 0.2887518493627 100 2.2434061637766 101 20.7901331541169 102 30.3189441830871 103 11.2613221251466 104 8.2488266122945 105 6.1307408112021 106 0.0000000000000 107 9.8985919347534 108 0.0000000000000 109 0.0000000000000 110 0.0000000000000 111 2.8875184936273 112 0.0000000000000 113 2.0212629455391 114 0.0000000000000 115 0.0000000000000 116 3.3651092456649 117 12.4163295225976 118 4.8607133548493 119 30.6076960324498 120 0.7478020545922 121 31.3455411267191 122 7.5151016395381 123 0.0000000000000 124 0.0000000000000 125 0.0000000000000 126 0.0000000000000 127 0.0000000000000 128 0.0000000000000 129 0.0000000000000 130 3.1762703429901 131 0.0000000000000 132 0.0000000000000 133 0.0000000000000 134 0.8662555480882 135 13.2825850706858 136 0.0000000000000 137 2.5987666442646 138 0.0000000000000 139 2.6173071910727 140 25.4063859658671 141 4.0881905711796 142 25.6989145932833 143 8.0850517821566 144 0.0000000000000 145 21.4469491919657 146 0.0000000000000 147 0.0000000000000 148 0.0000000000000 149 5.1975332885292 150 0.0000000000000 151 2.6173071910727 152 8.5787796767863 153 1.7034127379915 154 0.5775036987255 155 0.0000000000000 156 18.7688702085777 157 0.7478020545922 158 19.3463739073032 159 28.2976812375479 160 4.2893898383931 161 10.6793549614488 162 0.0000000000000 163 21.1169961274740 164 0.0000000000000 165 0.0000000000000 166 0.0000000000000 167 0.0000000000000 168 0.0000000000000 169 0.0000000000000 170 0.0000000000000 171 0.0000000000000 172 0.0000000000000 173 0.0000000000000 174 2.2434061637766 175 15.3038480162249 176 0.0000000000000 177 21.4469491919657 178 4.1530824850079 179 0.0000000000000 180 0.8662555480882 181 0.0000000000000 182 0.0000000000000 183 0.0000000000000 184 0.0000000000000 185 0.6813650951966 186 0.2887518493627 187 0.7478020545922 188 1.7325110961764 189 0.2887518493627 190 0.0000000000000 191 0.0000000000000 192 0.0000000000000 193 0.0000000000000 194 0.0000000000000 195 0.0000000000000 196 0.0000000000000 197 0.0000000000000 198 0.0000000000000 199 0.0000000000000 200 0.0000000000000 201 0.0000000000000 202 0.0000000000000 203 0.0000000000000 204 0.0000000000000 205 0.0000000000000 206 0.0000000000000 207 0.0000000000000 208 0.0000000000000 209 0.0000000000000 210 0.0000000000000 211 0.0000000000000 212 0.0000000000000 213 0.0000000000000 214 0.0000000000000 215 0.0000000000000 216 0.0000000000000 217 0.0000000000000 218 8.3738036315193 219 0.0000000000000 220 15.0150961668622 221 0.0000000000000 222 0.0000000000000 223 12.1275776732348 224 6.3525406859801 225 0.0000000000000 226 0.0000000000000 227 0.3739010272961 228 2.7254603807864 229 22.5226442502933 230 18.4801183592150 231 0.0000000000000 232 0.0000000000000 233 1.7325110961764 234 0.0000000000000 235 0.0000000000000 236 0.0000000000000 237 2.3100147949019 238 0.0000000000000 239 0.0000000000000 240 0.0000000000000 241 2.0212629455391 242 0.0000000000000 243 0.0000000000000 244 0.0000000000000 245 0.0000000000000 246 0.0000000000000 247 0.0000000000000 248 0.0000000000000 249 0.0000000000000 250 0.0000000000000 251 0.0000000000000 252 0.0000000000000 253 0.0000000000000 254 17.1575593535726 255 0.0000000000000 256 0.0000000000000 257 0.0000000000000 258 12.1275776732348 259 2.3100147949019 260 0.0000000000000 261 0.0000000000000 262 0.0000000000000 263 8.3738036315193 264 0.0000000000000 265 0.0000000000000 266 0.0000000000000 267 0.2887518493627 268 0.0000000000000 269 0.0000000000000 270 0.0000000000000 271 2.0212629455391 272 0.0000000000000 273 1.7325110961764 274 0.0000000000000 275 0.0000000000000 276 0.0000000000000 277 0.0000000000000 278 0.0000000000000 279 0.0000000000000 280 0.0000000000000 281 20.1271369339986 282 0.0000000000000 283 0.8662555480882 284 0.0000000000000 285 2.8875184936273 286 0.0000000000000 287 0.2887518493627 288 4.9087814391665 289 0.0000000000000 290 0.0000000000000 291 2.2434061637766 292 23.6776516477442 293 10.3950665770584 294 14.7263443174994 295 0.0000000000000 296 0.0000000000000 297 2.3100147949019 298 11.2613221251466 299 0.0000000000000 300 0.3299530644918 301 0.0000000000000 302 10.3950665770584 303 0.0000000000000 304 1.4437592468137 305 0.3739010272961 306 20.2126294553914 307 19.3463739073032 308 3.7390102729610 309 15.6713971895219 310 9.3475256824024 311 32.9177108273517 312 2.7254603807864 313 28.8751849362734 314 7.1041195186258 315 19.0576220579404 316 0.0000000000000 317 21.4469491919657 318 0.0000000000000 319 0.0000000000000 320 0.0000000000000 321 13.2825850706858 322 0.0000000000000 323 0.0000000000000 324 2.0212629455391 325 2.9695775804260 326 0.0000000000000 327 0.3739010272961 328 23.4266675789164 329 0.3406825475983 330 0.0000000000000 331 0.7478020545922 332 8.0850517821566 333 17.6138628111268 334 0.0000000000000 335 0.0000000000000 336 0.0000000000000 337 14.1488406187740 338 0.0000000000000 339 0.0000000000000 340 0.0000000000000 341 12.7050813719603 342 0.0000000000000 343 0.0000000000000 344 0.8662555480882 345 0.0000000000000 346 8.2488266122945 347 6.7240383090604 348 1.4956041091844 349 0.0000000000000 350 0.6813650951966 351 0.0000000000000 352 0.0000000000000 353 10.1063147276957 354 2.6173071910727 355 7.2187962340684 356 23.1001479490187 357 30.0301923337243 358 0.0000000000000 359 0.0000000000000 360 0.0000000000000 361 6.6412925353429 362 0.0000000000000 363 0.0000000000000 364 0.0000000000000 365 1.4437592468137 366 13.8600887694112 367 0.0000000000000 368 0.8662555480882 369 0.0000000000000 370 0.0000000000000 371 9.8175628783330 372 12.4163295225976 373 0.0000000000000 374 0.2887518493627 375 1.1550073974509 376 0.3406825475983 377 26.8539219907343 378 28.2976812375479 379 29.7414404843616 380 0.0000000000000 381 16.4976532245890 382 0.0000000000000 383 0.0000000000000 384 0.0000000000000 385 0.0000000000000 386 0.7478020545922 387 16.7476072630386 388 4.9087814391665 389 3.6294837094096 390 11.6681841245460 391 0.7478020545922 392 12.5382164506877 393 0.0000000000000 394 0.0000000000000 395 0.0000000000000 396 6.9300443847056 397 0.0000000000000 398 0.0000000000000 399 0.0000000000000 400 0.0000000000000 401 0.0000000000000 402 0.0000000000000 403 0.0000000000000 404 17.0363591124013 405 0.0000000000000 406 0.8662555480882 407 0.0000000000000 408 0.0000000000000 409 0.0000000000000 410 5.4862851378919 411 0.0000000000000 412 0.0000000000000 413 0.0000000000000 414 14.7263443174994 415 0.0000000000000 416 0.0000000000000 417 12.9938332213230 418 8.6625554808820 419 8.9087327412781 420 8.5039308026352 421 0.0000000000000 422 0.0000000000000 423 0.0000000000000 424 0.0000000000000 425 0.0000000000000 426 0.0000000000000 427 0.0000000000000 428 0.0000000000000 429 2.0212629455391 430 1.5876201563059 431 0.0000000000000 432 0.0000000000000 433 1.6497653224589 434 0.0000000000000 435 0.0000000000000 436 0.0000000000000 437 0.0000000000000 438 0.0000000000000 439 0.0000000000000 440 0.0000000000000 441 0.0000000000000 442 0.0000000000000 443 0.0000000000000 444 0.0000000000000 445 0.0000000000000 446 0.0000000000000 447 0.0000000000000 448 0.0000000000000 449 0.0000000000000 450 0.0000000000000 451 0.0000000000000 452 0.0000000000000 453 0.5775036987255 454 0.0000000000000 455 0.0000000000000 456 0.0000000000000 457 0.0000000000000 458 0.0000000000000 459 0.0000000000000 460 0.0000000000000 461 7.5889204833110 462 0.0000000000000 463 0.0000000000000 464 10.6838184264212 465 0.0000000000000 466 3.4650221923528 467 0.0000000000000 468 1.3198122579671 469 0.0000000000000 470 0.0000000000000 471 0.0000000000000 472 0.0000000000000 473 0.0000000000000 474 0.0000000000000 475 0.0000000000000 476 0.0000000000000 477 0.0000000000000 478 0.0000000000000 479 0.0000000000000 480 0.0000000000000 481 0.0000000000000 482 2.5987666442646 483 0.2887518493627 484 0.7478020545922 485 23.3888997983815 486 11.2613221251466 487 0.0000000000000 488 15.3038480162249 489 24.5439071958324 490 0.0000000000000 491 0.5775036987255 492 0.7478020545922 493 14.8478879021301 494 0.0000000000000 495 0.2887518493627 496 0.0000000000000 497 19.6351257566659 498 2.2434061637766 499 0.0000000000000 500 19.6351257566659 501 25.9876664426461 502 0.0000000000000 503 31.3455411267191 504 0.0000000000000 505 0.0000000000000 506 0.0000000000000 507 2.5987666442646 508 0.0000000000000 509 0.0000000000000 510 0.0000000000000 511 0.0000000000000 512 0.0000000000000 513 2.2434061637766 514 15.5925998655876 515 8.3738036315193 516 2.8875184936273 517 0.0000000000000 518 0.0000000000000 519 0.0000000000000 520 0.5775036987255 521 0.0000000000000 522 9.2386858057699 523 0.0000000000000 524 0.0000000000000 525 0.0000000000000 526 0.0000000000000 527 0.3739010272961 528 16.7476072630386 529 12.9938332213230 530 3.7390102729610 531 22.4368083854411 532 4.0881905711796 533 7.5075480834311 534 5.1975332885292 535 0.0000000000000 536 0.0000000000000 537 0.0000000000000 538 0.0000000000000 539 0.0000000000000 540 0.0000000000000 541 0.0000000000000 542 0.0000000000000 543 0.0000000000000 544 0.0000000000000 545 0.0000000000000 546 0.0000000000000 547 0.0000000000000 548 0.0000000000000 549 0.0000000000000 550 0.0000000000000 551 0.0000000000000 552 0.0000000000000 553 0.0000000000000 554 0.0000000000000 555 2.5987666442646 556 1.7325110961764 557 0.0000000000000 558 0.0000000000000 559 0.0000000000000 560 0.0000000000000 561 0.0000000000000 562 0.0000000000000 563 0.0000000000000 564 0.0000000000000 565 0.0000000000000 566 0.0000000000000 567 0.0000000000000 568 0.0000000000000 569 0.0000000000000 570 0.0000000000000 571 0.0000000000000 572 0.0000000000000 573 0.0000000000000 574 0.0000000000000 575 0.0000000000000 576 0.0000000000000 577 0.0000000000000 578 0.0000000000000 579 0.0000000000000 580 0.0000000000000 581 0.0000000000000 582 0.0000000000000 583 0.0000000000000 584 0.0000000000000 585 0.0000000000000 586 0.0000000000000 587 0.0000000000000 588 0.0000000000000 589 0.0000000000000 590 0.0000000000000 591 0.2887518493627 592 0.0000000000000 593 0.0000000000000 594 0.0000000000000 595 0.0000000000000 596 0.0000000000000 597 0.0000000000000 598 0.0000000000000 599 0.0000000000000 600 0.0000000000000 601 0.0000000000000 602 0.0000000000000 603 0.0000000000000 604 0.0000000000000 605 0.0000000000000 606 0.0000000000000 607 0.0000000000000 608 0.0000000000000 609 0.0000000000000 610 0.0000000000000 611 0.0000000000000 612 0.0000000000000 613 5.1975332885292 614 0.0000000000000 615 0.0000000000000 616 0.0000000000000 617 1.1217030818883 618 2.3096714514425 619 3.0661429283847 620 17.3251109617640 621 0.2887518493627 622 0.0000000000000 623 0.0000000000000 624 0.0000000000000 625 1.4437592468137 626 0.0000000000000 627 0.0000000000000 628 0.0000000000000 629 0.0000000000000 630 10.3950665770584 631 0.0000000000000 632 0.0000000000000 633 0.0000000000000 634 10.3950665770584 635 0.0000000000000 636 0.0000000000000 637 0.0000000000000 638 0.0000000000000 639 2.8875184936273 640 13.2825850706858 641 0.0000000000000 642 3.9594367739014 643 0.0000000000000 644 0.0000000000000 645 0.0000000000000 646 0.0000000000000 647 1.8695051364805 648 12.9938332213230 649 17.6138628111268 650 2.5987666442646 651 0.0000000000000 652 12.5382164506877 653 0.0000000000000 654 0.0000000000000 655 0.0000000000000 656 2.3100147949019 657 0.0000000000000 658 0.0000000000000 659 0.0000000000000 660 0.0000000000000 661 0.0000000000000 662 0.0000000000000 663 0.0000000000000 664 6.9300443847056 665 10.9725702757839 666 0.0000000000000 667 28.5864330869107 668 13.8600887694112 669 0.0000000000000 670 7.7962999327938 671 32.6289589779889 672 3.7537740417155 673 0.0000000000000 674 0.0000000000000 675 0.0000000000000 676 1.1550073974509 677 0.0000000000000 678 0.0000000000000 679 0.0000000000000 680 5.4862851378919 681 0.0000000000000 682 0.0000000000000 683 16.1701035643131 684 0.0000000000000 685 18.4773716115397 686 3.1642533219108 687 0.0000000000000 688 0.0000000000000 689 0.0000000000000 690 0.0000000000000 691 0.0000000000000 692 0.0000000000000 693 0.0000000000000 694 0.0000000000000 695 0.0000000000000 696 0.0000000000000 697 0.0000000000000 698 0.0000000000000 699 0.0000000000000 700 0.0000000000000 701 0.0000000000000 702 0.0000000000000 703 0.2887518493627 704 0.3739010272961 705 2.5987666442646 706 5.1975332885292 707 0.0000000000000 708 0.0000000000000 709 0.0000000000000 710 0.0000000000000 711 0.0000000000000 712 0.0000000000000 713 0.0000000000000 714 0.0000000000000 715 0.0000000000000 716 0.0000000000000 717 0.0000000000000 718 0.0000000000000 719 0.0000000000000 720 0.0000000000000 721 0.0000000000000 722 0.0000000000000 723 0.0000000000000 724 0.0000000000000 725 0.0000000000000 726 0.0000000000000 727 0.0000000000000 728 0.0000000000000 729 0.0000000000000 730 0.0000000000000 731 0.0000000000000 732 0.0000000000000 733 0.0000000000000 734 0.0000000000000 735 0.0000000000000 736 0.0000000000000 737 0.0000000000000 738 0.0000000000000 739 0.0000000000000 740 0.0000000000000 741 3.6294837094096 742 1.3627301903932 743 22.8113960996560 744 9.2400591796075 745 0.0000000000000 746 0.0000000000000 747 0.0000000000000 748 0.0000000000000 749 0.0000000000000 750 0.0000000000000 751 0.0000000000000 752 0.0000000000000 753 0.0000000000000 754 0.0000000000000 755 0.0000000000000 756 0.0000000000000 757 0.0000000000000 758 0.0000000000000 759 0.0000000000000 760 0.0000000000000 761 0.0000000000000 762 0.0000000000000 763 0.0000000000000 764 0.0000000000000 765 0.0000000000000 766 0.0000000000000 767 0.0000000000000 768 0.0000000000000 769 0.0000000000000 770 0.0000000000000 771 0.0000000000000 772 0.0000000000000 773 1.4956041091844 774 1.4956041091844 775 0.0000000000000 776 0.3406825475983 777 0.0000000000000 778 3.3651092456649 779 5.6085154094414 780 12.7050813719603 781 5.2346143821454 782 20.5013813047541 783 5.6085154094414 784 19.3463739073032 785 2.9912082183688 786 4.0425258910783 787 2.6173071910727 788 0.0000000000000 789 0.0000000000000 790 0.0000000000000 791 0.0000000000000 792 0.0000000000000 793 0.0000000000000 794 0.0000000000000 795 0.0000000000000 796 0.0000000000000 797 0.0000000000000 798 0.0000000000000 799 0.0000000000000 800 0.0000000000000 801 4.3312777404410 802 0.0000000000000 803 0.0000000000000 804 0.0000000000000 805 10.5584980637370 806 0.0000000000000 807 0.0000000000000 808 0.0000000000000 809 7.5075480834311 810 0.3739010272961 811 3.4650221923528 812 20.5013813047541 813 3.3651092456649 814 26.3962451593424 815 19.7971838695068 816 0.0000000000000 817 32.9953064491781 818 0.0000000000000 819 0.0000000000000 820 0.0000000000000 821 8.0850517821566 822 0.3739010272961 823 17.0363591124013 824 25.6989145932833 825 3.6294837094096 826 6.9218041416798 827 0.0000000000000 828 0.0000000000000 829 0.0000000000000 830 10.1063147276957 831 0.0000000000000 832 0.0000000000000 833 0.0000000000000 834 19.0576220579404 835 0.0000000000000 836 0.0000000000000 837 12.4163295225976 838 9.5288110289702 839 14.5179348376383 840 6.1307408112021 841 0.0000000000000 842 13.5280756441630 843 0.0000000000000 844 0.0000000000000 845 0.0000000000000 846 0.0000000000000 847 0.0000000000000 848 0.0000000000000 849 0.0000000000000 850 0.0000000000000 851 0.0000000000000 852 0.0000000000000 853 0.0000000000000 854 0.0000000000000 855 0.0000000000000 856 0.9898591934753 857 0.3406825475983 858 0.0000000000000 859 0.0000000000000 860 0.0000000000000 861 0.7478020545922 862 7.7962999327938 863 14.4375924681367 864 0.3739010272961 865 6.3525406859801 866 21.3676368528423 867 0.0000000000000 868 6.0637888366174 869 0.0000000000000 870 0.0000000000000 871 0.0000000000000 872 0.3739010272961 873 12.9938332213230 874 15.5925998655876 875 0.3739010272961 876 30.3189441830871 877 27.4314256894597 878 0.0000000000000 879 19.6351257566659 880 26.2764182920088 881 0.0000000000000 882 8.9513073302448 883 0.7478020545922 884 11.5483572572123 885 1.7034127379915 886 12.9938332213230 887 0.7478020545922 888 20.5013813047541 889 2.3100147949019 890 0.0000000000000 891 0.0000000000000 892 0.0000000000000 893 0.0000000000000 894 0.0000000000000 895 0.0000000000000 896 0.0000000000000 897 0.0000000000000 898 0.0000000000000 899 0.0000000000000 900 0.0000000000000 901 0.0000000000000 902 0.0000000000000 903 0.0000000000000 904 0.0000000000000 905 0.3299530644918 906 0.0000000000000 907 0.0000000000000 908 0.0000000000000 909 0.0000000000000 910 0.0000000000000 911 0.0000000000000 912 0.0000000000000 913 0.0000000000000 914 0.0000000000000 915 1.4437592468137 916 0.0000000000000 917 0.2887518493627 918 22.8113960996560 919 0.3406825475983 920 0.0000000000000 921 1.8695051364805 922 2.3847778331881 923 2.5987666442646 924 12.4163295225976 925 1.0220476427949 926 0.0000000000000 927 1.4437592468137 928 0.0000000000000 929 0.0000000000000 930 0.0000000000000 931 0.0000000000000 932 0.0000000000000 933 0.0000000000000 934 0.0000000000000 935 0.0000000000000 936 0.0000000000000 937 0.0000000000000 938 0.0000000000000 939 0.0000000000000 940 0.0000000000000 941 0.0000000000000 942 0.0000000000000 943 0.0000000000000 944 0.0000000000000 945 0.0000000000000 946 0.0000000000000 947 0.0000000000000 948 0.0000000000000 949 0.0000000000000 950 0.0000000000000 951 0.0000000000000 952 0.0000000000000 953 0.0000000000000 954 0.0000000000000 955 0.0000000000000 956 1.1217030818883 957 6.6412925353429 958 1.7325110961764 959 2.0440952855898 960 2.0212629455391 961 1.4956041091844 962 0.0000000000000 963 0.0000000000000 964 0.0000000000000 965 2.3847778331881 966 2.5987666442646 967 1.4437592468137 968 0.0000000000000 969 0.0000000000000 970 0.0000000000000 971 0.0000000000000 972 0.0000000000000 973 0.0000000000000 974 0.0000000000000 975 0.0000000000000 976 0.0000000000000 977 0.0000000000000 978 0.0000000000000 979 0.0000000000000 980 0.0000000000000 981 0.0000000000000 982 0.0000000000000 983 0.2887518493627 984 0.0000000000000 985 0.0000000000000 986 1.1550073974509 987 0.0000000000000 988 0.0000000000000 989 0.0000000000000 990 2.7783352735354 991 0.3739010272961 992 1.4437592468137 993 15.0150961668622 994 0.0000000000000 995 0.0000000000000 996 0.0000000000000 997 0.0000000000000 998 0.2887518493627 999 0.0000000000000 1000 0.0000000000000 1001 0.0000000000000 1002 0.0000000000000 1003 0.0000000000000 1004 0.0000000000000 1005 0.0000000000000 1006 0.0000000000000 1007 0.0000000000000 1008 0.0000000000000 1009 0.0000000000000 1010 0.0000000000000 1011 0.0000000000000 1012 0.0000000000000 1013 0.0000000000000 1014 0.0000000000000 1015 0.0000000000000 1016 0.0000000000000 1017 0.0000000000000 1018 0.0000000000000 1019 0.0000000000000 1020 0.0000000000000 1021 0.0000000000000 1022 0.0000000000000 1023 0.0000000000000 1024 0.0000000000000 1025 0.0000000000000 1026 0.0000000000000 1027 0.0000000000000 1028 0.0000000000000 1029 0.0000000000000 1030 0.0000000000000 1031 0.0000000000000 1032 0.0000000000000 1033 0.0000000000000 1034 0.0000000000000 1035 0.0000000000000 1036 0.0000000000000 1037 0.0000000000000 1038 0.0000000000000 1039 0.0000000000000 1040 0.0000000000000 1041 0.0000000000000 1042 0.0000000000000 1043 0.0000000000000 1044 0.0000000000000 1045 0.0000000000000 1046 0.0000000000000 1047 0.0000000000000 1048 0.0000000000000 1049 0.0000000000000 1050 0.0000000000000 1051 0.0000000000000 1052 0.0000000000000 1053 0.0000000000000 1054 0.0000000000000 1055 4.6200295898037 1056 0.0000000000000 1057 0.0000000000000 1058 0.0000000000000 1059 2.0212629455391 1060 0.0000000000000 1061 14.1488406187740 1062 24.5439071958324 1063 0.3406825475983 1064 4.9087814391665 1065 33.4952145260771 1066 12.7050813719603 1067 0.0000000000000 1068 8.5787796767863 1069 0.0000000000000 1070 0.0000000000000 1071 0.0000000000000 1072 6.3525406859801 1073 0.0000000000000 1074 0.0000000000000 1075 0.5775036987255 1076 0.0000000000000 1077 17.0363591124013 1078 2.3100147949019 1079 0.0000000000000 1080 0.0000000000000 1081 1.7034127379915 1082 14.4375924681367 1083 28.5864330869107 1084 0.0000000000000 1085 0.0000000000000 1086 0.0000000000000 1087 7.5075480834311 1088 0.0000000000000 1089 5.4862851378919 1090 0.7478020545922 1091 28.0089293881852 1092 27.1426738400970 1093 11.2184041927205 1094 12.2614816224042 1095 0.3739010272961 1096 7.9188735478027 1097 0.0000000000000 1098 0.0000000000000 1099 0.0000000000000 1100 18.4801183592150 1101 0.0000000000000 1102 8.6625554808820 1103 24.8326590451951 1104 0.0000000000000 1105 22.8113960996560 1106 12.9938332213230 1107 0.0000000000000 1108 0.0000000000000 1109 3.4068254759830 1110 7.7962999327938 1111 32.0514552792635 1112 0.0000000000000 1113 10.5584980637370 1114 0.0000000000000 1115 0.0000000000000 1116 0.0000000000000 1117 0.2887518493627 1118 0.0000000000000 1119 0.0000000000000 1120 0.0000000000000 1121 0.0000000000000 1122 0.0000000000000 1123 0.7478020545922 1124 19.6351257566659 1125 0.3406825475983 1126 33.2064626767144 1127 0.0000000000000 1128 8.6625554808820 1129 0.0000000000000 1130 0.0000000000000 1131 0.0000000000000 1132 0.0000000000000 1133 0.0000000000000 1134 0.0000000000000 1135 0.0000000000000 1136 4.3312777404410 1137 0.0000000000000 1138 0.0000000000000 1139 0.0000000000000 1140 0.0000000000000 1141 18.2576317975181 1142 0.3739010272961 1143 0.0000000000000 1144 12.9938332213230 1145 3.7537740417155 1146 0.0000000000000 1147 0.0000000000000 1148 0.0000000000000 1149 0.0000000000000 1150 0.0000000000000 1151 0.0000000000000 1152 0.0000000000000 1153 16.7476072630386 1154 1.8695051364805 1155 10.1063147276957 1156 32.3402071286262 1157 12.7050813719603 1158 10.5584980637370 1159 8.7016966352546 1160 0.0000000000000 1161 9.8985919347534 1162 0.0000000000000 1163 0.0000000000000 1164 0.0000000000000 1165 7.2187962340684 1166 0.0000000000000 1167 6.6412925353429 1168 0.0000000000000 1169 0.0000000000000 1170 4.3312777404410 1171 22.5226442502933 1172 4.8607133548493 1173 20.7870430629822 1174 12.8681695151794 1175 0.0000000000000 1176 0.0000000000000 1177 0.0000000000000 1178 4.3312777404410 1179 0.0000000000000 1180 0.0000000000000 1181 0.0000000000000 1182 8.9513073302448 1183 0.0000000000000 1184 0.0000000000000 1185 0.0000000000000 1186 0.0000000000000 1187 0.0000000000000 1188 10.9725702757839 1189 2.3100147949019 1190 0.0000000000000 1191 0.0000000000000 1192 0.3299530644918 1193 0.0000000000000 1194 0.0000000000000 1195 0.0000000000000 1196 0.0000000000000 1197 0.0000000000000 1198 0.0000000000000 1199 0.0000000000000 1200 0.0000000000000 1201 0.0000000000000 1202 0.0000000000000 1203 0.0000000000000 1204 0.0000000000000 1205 0.0000000000000 1206 0.0000000000000 1207 0.0000000000000 1208 0.0000000000000 1209 0.0000000000000 1210 0.0000000000000 1211 0.0000000000000 1212 0.0000000000000 1213 0.0000000000000 1214 0.0000000000000 1215 0.0000000000000 1216 0.0000000000000 1217 0.0000000000000 1218 1.7325110961764 1219 0.0000000000000 1220 29.1639367856361 1221 4.0425258910783 1222 0.6813650951966 1223 2.8875184936273 1224 4.8607133548493 1225 5.4509207615728 1226 4.6200295898037 1227 5.7750369872547 1228 3.4068254759830 1229 7.2187962340684 1230 19.9238776060287 1231 0.0000000000000 1232 0.0000000000000 1233 0.0000000000000 1234 0.0000000000000 1235 0.0000000000000 1236 0.0000000000000 1237 0.0000000000000 1238 0.0000000000000 1239 0.0000000000000 1240 0.0000000000000 1241 0.0000000000000 1242 0.0000000000000 1243 0.0000000000000 1244 0.0000000000000 1245 0.0000000000000 1246 0.0000000000000 1247 0.0000000000000 1248 0.0000000000000 1249 0.0000000000000 1250 0.0000000000000 1251 0.0000000000000 1252 0.0000000000000 1253 1.1550073974509 1254 7.2187962340684 1255 0.0000000000000 1256 0.3299530644918 1257 0.0000000000000 1258 0.0000000000000 1259 0.0000000000000 1260 0.0000000000000 1261 0.0000000000000 1262 0.0000000000000 1263 0.0000000000000 1264 0.3969050390765 1265 2.7687216566719 1266 0.0000000000000 1267 0.0000000000000 1268 0.0000000000000 1269 0.0000000000000 1270 1.4437592468137 1271 1.4437592468137 1272 0.7478020545922 1273 21.6563887022051 1274 24.8326590451951 1275 0.0000000000000 1276 16.1701035643131 1277 28.0089293881852 1278 0.0000000000000 1279 6.6412925353429 1280 0.3739010272961 1281 0.9898591934753 1282 0.0000000000000 1283 0.8662555480882 1284 0.0000000000000 1285 3.1762703429901 1286 0.0000000000000 1287 22.8113960996560 1288 4.6200295898037 1289 3.3651092456649 1290 12.9459368087355 1291 8.2258226005141 1292 24.8326590451951 1293 3.0661429283847 1294 27.4314256894597 1295 7.8519215732180 1296 3.7537740417155 1297 0.0000000000000 1298 0.0000000000000 1299 0.0000000000000 1300 0.0000000000000 1301 0.0000000000000 1302 0.0000000000000 1303 0.0000000000000 1304 0.0000000000000 1305 0.0000000000000 1306 0.0000000000000 1307 0.0000000000000 1308 2.6173071910727 1309 7.5075480834311 1310 0.3406825475983 1311 27.4314256894597 1312 2.2434061637766 1313 10.9725702757839 1314 0.0000000000000 1315 0.0000000000000 1316 0.0000000000000 1317 0.0000000000000 1318 0.0000000000000 1319 0.0000000000000 1320 0.0000000000000 1321 0.0000000000000 1322 0.0000000000000 1323 0.0000000000000 1324 9.2400591796075 1325 0.0000000000000 1326 2.9912082183688 1327 2.9695775804260 1328 27.0561512883260 1329 0.0000000000000 1330 2.6396245159342 1331 0.0000000000000 1332 0.0000000000000 1333 0.0000000000000 1334 12.4163295225976 1335 0.0000000000000 1336 10.9725702757839 1337 0.0000000000000 1338 0.0000000000000 1339 2.3100147949019 1340 17.0363591124013 1341 0.7478020545922 1342 23.6776516477442 1343 8.0850517821566 1344 2.3847778331881 1345 20.5013813047541 1346 8.2258226005141 1347 5.7916033091712 1348 2.3100147949019 1349 22.5226442502933 1350 9.1984287851542 1351 32.6289589779889 1352 32.3402071286262 1353 0.0000000000000 1354 23.0967145144246 1355 0.0000000000000 1356 0.0000000000000 1357 0.0000000000000 1358 14.4375924681367 1359 0.0000000000000 1360 0.2887518493627 1361 21.3676368528423 1362 12.7009612504474 1363 0.9888291630971 1364 0.0000000000000 1365 21.7769022564575 1366 0.0000000000000 1367 0.0000000000000 1368 0.0000000000000 1369 0.0000000000000 1370 0.0000000000000 1371 0.0000000000000 1372 1.4437592468137 1373 0.0000000000000 1374 0.0000000000000 1375 0.3739010272961 1376 25.4063859658671 1377 0.0000000000000 1378 1.4437592468137 1379 0.0000000000000 1380 15.5925998655876 1381 0.3739010272961 1382 17.3251109617640 1383 23.9664034971069 1384 3.3651092456649 1385 0.6599061289836 1386 34.6450717716370 1387 1.1217030818883 1388 0.3299530644918 1389 0.0000000000000 1390 5.1975332885292 1391 0.0000000000000 1392 0.0000000000000 1393 1.1217030818883 1394 4.9087814391665 1395 24.2551553464697 1396 2.9695775804260 1397 2.9664874892913 1398 0.0000000000000 1399 25.7363390303589 1400 0.0000000000000 1401 0.0000000000000 1402 0.0000000000000 1403 16.7476072630386 1404 0.0000000000000 1405 19.6351257566659 1406 17.3251109617640 1407 0.0000000000000 1408 0.0000000000000 1409 4.6193429028849 1410 2.9912082183688 1411 22.4368083854411 1412 1.7034127379915 1413 0.2887518493627 1414 1.1217030818883 1415 25.6989145932833 1416 20.7901331541169 1417 1.4956041091844 1418 33.9851656426534 1419 0.0000000000000 1420 0.0000000000000 1421 0.0000000000000 1422 6.3525406859801 1423 0.0000000000000 1424 0.0000000000000 1425 0.2887518493627 1426 0.0000000000000 1427 3.7537740417155 1428 0.3739010272961 1429 0.0000000000000 1430 0.2887518493627 1431 4.0425258910783 1432 2.2434061637766 1433 19.3463739073032 1434 15.3038480162249 1435 2.8875184936273 1436 0.0000000000000 1437 12.5382164506877 1438 0.0000000000000 1439 0.0000000000000 1440 0.0000000000000 1441 0.0000000000000 1442 0.0000000000000 1443 0.0000000000000 1444 0.0000000000000 1445 0.0000000000000 1446 0.0000000000000 1447 0.0000000000000 1448 0.0000000000000 1449 0.0000000000000 1450 0.0000000000000 1451 0.0000000000000 1452 0.7478020545922 1453 2.5987666442646 1454 16.4588554136758 1455 0.0000000000000 1456 0.0000000000000 1457 9.5288110289702 1458 0.0000000000000 1459 6.9300443847056 1460 0.0000000000000 1461 0.0000000000000 1462 0.0000000000000 1463 0.3739010272961 1464 8.6625554808820 1465 11.5500739745094 1466 0.0000000000000 1467 10.3950665770584 1468 30.0301923337243 1469 0.0000000000000 1470 0.0000000000000 1471 2.0212629455391 1472 0.0000000000000 1473 0.0000000000000 1474 0.0000000000000 1475 0.0000000000000 1476 0.0000000000000 1477 0.0000000000000 1478 0.0000000000000 1479 0.0000000000000 1480 0.0000000000000 1481 0.0000000000000 1482 1.7325110961764 1483 0.0000000000000 1484 0.0000000000000 1485 0.0000000000000 1486 2.9912082183688 1487 4.2893898383931 1488 3.4068254759830 1489 19.0576220579404 1490 0.0000000000000 1491 0.0000000000000 1492 0.0000000000000 1493 0.0000000000000 1494 0.0000000000000 1495 0.0000000000000 1496 0.0000000000000 1497 0.0000000000000 1498 0.0000000000000 1499 0.0000000000000 1500 0.0000000000000 1501 0.0000000000000 1502 0.0000000000000 1503 0.0000000000000 1504 0.0000000000000 1505 0.0000000000000 1506 0.0000000000000 1507 0.0000000000000 1508 0.0000000000000 1509 0.0000000000000 1510 0.0000000000000 1511 0.0000000000000 1512 0.0000000000000 1513 0.0000000000000 1514 0.0000000000000 1515 0.0000000000000 1516 0.0000000000000 1517 0.0000000000000 1518 0.0000000000000 1519 0.0000000000000 1520 0.0000000000000 1521 0.0000000000000 1522 0.0000000000000 1523 0.0000000000000 1524 0.0000000000000 1525 0.0000000000000 1526 0.0000000000000 1527 0.0000000000000 1528 0.0000000000000 1529 0.0000000000000 1530 0.5775036987255 1531 0.0000000000000 1532 0.0000000000000 1533 0.0000000000000 1534 0.5775036987255 1535 0.0000000000000 1536 0.0000000000000 1537 0.0000000000000 1538 0.0000000000000 1539 0.0000000000000 1540 0.0000000000000 1541 0.5775036987255 1542 0.0000000000000 1543 0.0000000000000 1544 0.0000000000000 1545 0.0000000000000 1546 0.0000000000000 1547 0.0000000000000 1548 0.0000000000000 1549 0.0000000000000 1550 0.0000000000000 1551 0.0000000000000 1552 0.0000000000000 1553 0.0000000000000 1554 0.2887518493627 1555 0.0000000000000 1556 0.0000000000000 1557 0.0000000000000 1558 0.0000000000000 1559 0.0000000000000 1560 0.2887518493627 1561 0.0000000000000 1562 0.0000000000000 1563 0.0000000000000 1564 0.0000000000000 1565 7.5075480834311 1566 0.0000000000000 1567 0.0000000000000 1568 0.0000000000000 1569 0.0000000000000 1570 0.0000000000000 1571 0.0000000000000 1572 0.0000000000000 1573 0.0000000000000 1574 0.0000000000000 1575 0.0000000000000 1576 0.0000000000000 1577 0.0000000000000 1578 0.0000000000000 1579 0.0000000000000 1580 0.0000000000000 1581 0.0000000000000 1582 0.0000000000000 1583 0.0000000000000 1584 0.0000000000000 1585 0.0000000000000 1586 0.0000000000000 1587 0.6599061289836 1588 0.0000000000000 1589 0.0000000000000 1590 0.0000000000000 1591 2.8875184936273 1592 0.0000000000000 1593 0.0000000000000 1594 0.0000000000000 1595 0.0000000000000 1596 4.9087814391665 1597 15.5925998655876 1598 3.3651092456649 1599 2.3096714514425 1600 39.2644146745219 1601 0.0000000000000 1602 0.9898591934753 1603 0.0000000000000 1604 12.7050813719603 1605 0.7478020545922 1606 25.9876664426461 1607 18.4801183592150 1608 0.3739010272961 1609 34.9750248361287 1610 0.0000000000000 1611 3.1762703429901 1612 0.0000000000000 1613 5.7750369872547 1614 0.0000000000000 1615 2.0212629455391 1616 0.0000000000000 1617 1.8695051364805 1618 2.9695775804260 1619 3.0661429283847 1620 2.5987666442646 1621 8.3738036315193 1622 0.0000000000000 1623 0.0000000000000 1624 0.0000000000000 1625 6.3525406859801 1626 0.0000000000000 1627 0.2887518493627 1628 0.0000000000000 1629 9.5288110289702 1630 9.8175628783330 1631 0.0000000000000 1632 11.5500739745094 1633 2.6173071910727 1634 23.9664034971069 1635 26.8539219907343 1636 28.0089293881852 1637 1.1217030818883 1638 4.3312777404410 1639 25.9876664426461 1640 15.5925998655876 1641 0.0000000000000 1642 13.5280756441630 1643 0.0000000000000 1644 0.2887518493627 1645 0.0000000000000 1646 9.2400591796075 1647 0.0000000000000 1648 0.0000000000000 1649 1.4437592468137 1650 0.0000000000000 1651 15.5925998655876 1652 8.9513073302448 1653 0.0000000000000 1654 30.0301923337243 1655 7.5075480834311 1656 0.3406825475983 1657 14.1488406187740 1658 4.8607133548493 1659 4.7695556663762 1660 4.6200295898037 1661 16.4588554136758 1662 5.1102382139745 1663 30.8964478818125 1664 26.8539219907343 1665 0.0000000000000 1666 9.5686388702616 1667 0.0000000000000 1668 0.0000000000000 1669 0.0000000000000 1670 0.0000000000000 1671 0.0000000000000 1672 0.0000000000000 1673 0.0000000000000 1674 0.0000000000000 1675 0.0000000000000 1676 0.0000000000000 1677 0.0000000000000 1678 0.0000000000000 1679 0.0000000000000 1680 0.0000000000000 1681 0.0000000000000 1682 8.9087327412781 1683 0.0000000000000 1684 0.0000000000000 1685 0.0000000000000 1686 5.4862851378919 1687 0.0000000000000 1688 13.8600887694112 1689 0.0000000000000 1690 0.3739010272961 1691 0.5775036987255 1692 25.4101627439206 1693 3.7390102729610 1694 34.3151187071452 1695 0.3299530644918 1696 0.0000000000000 1697 0.0000000000000 1698 0.0000000000000 1699 5.7750369872547 1700 0.0000000000000 1701 0.0000000000000 1702 0.0000000000000 1703 2.0212629455391 1704 0.0000000000000 1705 0.0000000000000 1706 0.0000000000000 1707 1.1550073974509 1708 0.0000000000000 1709 0.0000000000000 1710 0.0000000000000 1711 0.0000000000000 1712 0.0000000000000 1713 0.0000000000000 1714 0.0000000000000 1715 0.0000000000000 1716 0.0000000000000 1717 0.0000000000000 1718 18.1474185470479 1719 0.0000000000000 1720 0.0000000000000 1721 0.0000000000000 1722 4.6200295898037 1723 0.0000000000000 1724 8.3738036315193 1725 4.6200295898037 1726 0.0000000000000 1727 0.0000000000000 1728 0.0000000000000 1729 0.0000000000000 1730 3.7537740417155 1731 0.0000000000000 1732 1.8695051364805 1733 13.5713369200485 1734 10.6838184264212 1735 8.6625554808820 1736 0.0000000000000 1737 0.0000000000000 1738 0.0000000000000 1739 6.0637888366174 1740 0.0000000000000 1741 0.0000000000000 1742 0.0000000000000 1743 4.0425258910783 1744 19.0576220579404 1745 3.3651092456649 1746 2.6396245159342 1747 4.9492959673767 1748 0.0000000000000 1749 1.6497653224589 1750 0.0000000000000 1751 0.0000000000000 1752 0.0000000000000 1753 1.7325110961764 1754 0.3739010272961 1755 2.0212629455391 1756 0.2887518493627 1757 4.4868123275532 1758 32.3354003201945 1759 6.2691082253438 1760 0.0000000000000 1761 0.0000000000000 1762 0.0000000000000 1763 3.1762703429901 1764 0.0000000000000 1765 0.0000000000000 1766 0.0000000000000 1767 3.7537740417155 1768 7.5075480834311 1769 0.0000000000000 1770 9.5288110289702 1771 12.7050813719603 1772 0.0000000000000 1773 17.0363591124013 1774 21.3676368528423 1775 1.3627301903932 1776 7.2187962340684 1777 9.3475256824024 1778 8.5170636899576 1779 20.7901331541169 1780 32.3402071286262 1781 10.5611589755474 1782 32.0514552792635 1783 32.9177108273517 1784 0.0000000000000 1785 6.9290143543274 1786 0.0000000000000 1787 0.0000000000000 1788 0.0000000000000 1789 5.7750369872547 1790 0.0000000000000 1791 6.3525406859801 1792 20.5013813047541 1793 2.6173071910727 1794 40.5842269324890 1795 4.7695556663762 1796 31.7627034299007 1797 17.0363591124013 1798 0.0000000000000 1799 18.8073246760315 1800 0.0000000000000 1801 0.0000000000000 1802 0.0000000000000 1803 3.1762703429901 1804 0.0000000000000 1805 0.0000000000000 1806 0.0000000000000 1807 5.1975332885292 1808 13.5713369200485 1809 0.0000000000000 1810 0.0000000000000 1811 0.9888291630971 1812 0.0000000000000 1813 7.5889204833110 1814 0.0000000000000 1815 0.0000000000000 1816 0.0000000000000 1817 0.0000000000000 1818 0.3739010272961 1819 3.7537740417155 1820 3.7537740417155 1821 3.3651092456649 1822 4.4868123275532 1823 6.9300443847056 1824 6.3563174640336 1825 24.5439071958324 1826 6.3563174640336 1827 30.6076960324498 1828 6.3563174640336 1829 30.8964478818125 1830 4.4868123275532 1831 13.8600887694112 1832 0.0000000000000 1833 0.0000000000000 1834 0.0000000000000 1835 0.0000000000000 1836 0.0000000000000 1837 0.0000000000000 1838 0.0000000000000 1839 0.0000000000000 1840 0.5775036987255 1841 0.0000000000000 1842 0.0000000000000 1843 0.0000000000000 1844 0.0000000000000 1845 0.0000000000000 1846 0.0000000000000 1847 0.0000000000000 1848 0.0000000000000 1849 0.0000000000000 1850 0.0000000000000 1851 0.5775036987255 1852 0.0000000000000 1853 0.0000000000000 1854 0.0000000000000 1855 0.0000000000000 1856 0.0000000000000 1857 0.0000000000000 1858 0.0000000000000 1859 0.0000000000000 1860 0.0000000000000 1861 0.0000000000000 1862 0.0000000000000 1863 0.5775036987255 1864 0.2887518493627 1865 0.0000000000000 1866 0.0000000000000 1867 0.0000000000000 1868 0.0000000000000 1869 0.0000000000000 1870 0.0000000000000 1871 0.0000000000000 1872 0.0000000000000 1873 0.0000000000000 1874 0.0000000000000 1875 0.0000000000000 1876 0.0000000000000 1877 0.0000000000000 1878 0.5775036987255 1879 0.0000000000000 1880 0.0000000000000 1881 0.0000000000000 1882 0.0000000000000 1883 0.0000000000000 1884 0.0000000000000 1885 0.0000000000000 1886 0.0000000000000 1887 0.0000000000000 1888 0.0000000000000 1889 0.0000000000000 1890 0.0000000000000 1891 0.0000000000000 1892 0.0000000000000 1893 0.0000000000000 1894 0.0000000000000 1895 0.0000000000000 1896 0.0000000000000 1897 0.0000000000000 1898 0.0000000000000 1899 0.0000000000000 1900 0.0000000000000 1901 0.0000000000000 1902 0.0000000000000 1903 0.0000000000000 1904 0.0000000000000 1905 0.0000000000000 1906 0.0000000000000 1907 0.0000000000000 1908 0.0000000000000 1909 0.5775036987255 1910 0.0000000000000 1911 0.0000000000000 1912 0.0000000000000 1913 0.0000000000000 1914 0.0000000000000 1915 0.0000000000000 1916 0.0000000000000 1917 0.0000000000000 1918 0.0000000000000 1919 0.0000000000000 1920 0.0000000000000 1921 0.0000000000000 1922 0.0000000000000 1923 0.0000000000000 1924 0.0000000000000 1925 0.0000000000000 1926 0.0000000000000 1927 0.0000000000000 1928 0.0000000000000 1929 0.0000000000000 1930 0.0000000000000 1931 0.0000000000000 1932 0.0000000000000 1933 0.0000000000000 1934 0.0000000000000 1935 0.0000000000000 1936 0.0000000000000 1937 0.5775036987255 1938 0.0000000000000 1939 0.0000000000000 1940 7.7962999327938 1941 0.0000000000000 1942 0.0000000000000 1943 6.3525406859801 1944 0.0000000000000 1945 0.0000000000000 1946 0.0000000000000 1947 0.6599061289836 1948 0.0000000000000 1949 0.0000000000000 1950 0.0000000000000 1951 0.0000000000000 1952 0.0000000000000 1953 0.0000000000000 1954 0.0000000000000 1955 0.0000000000000 1956 0.0000000000000 1957 0.0000000000000 1958 0.0000000000000 1959 0.0000000000000 1960 0.0000000000000 1961 0.0000000000000 1962 0.0000000000000 1963 0.0000000000000 1964 0.0000000000000 1965 0.0000000000000 1966 0.2887518493627 1967 0.0000000000000 1968 5.9391551608520 1969 0.0000000000000 1970 0.0000000000000 1971 0.0000000000000 1972 1.1550073974509 1973 0.0000000000000 1974 2.0212629455391 1975 7.2187962340684 1976 0.0000000000000 1977 9.5288110289702 1978 0.0000000000000 1979 2.9912082183688 1980 35.3049779006205 1981 47.8431943513082 1982 0.0000000000000 1983 0.0000000000000 1984 0.0000000000000 1985 0.0000000000000 1986 15.8813517149504 1987 6.9300443847056 1988 0.7478020545922 1989 25.1214108945579 1990 2.3100147949019 1991 0.0000000000000 1992 12.7050813719603 1993 1.7325110961764 1994 0.0000000000000 1995 0.0000000000000 1996 0.0000000000000 1997 5.6092020963603 1998 0.0000000000000 1999 0.0000000000000 2000 4.9087814391665 2001 0.0000000000000 2002 0.0000000000000 2003 7.5075480834311 2004 0.0000000000000 2005 0.0000000000000 2006 2.0212629455391 2007 0.0000000000000 2008 0.0000000000000 2009 0.8662555480882 2010 0.0000000000000 2011 14.1879817731466 2012 0.0000000000000 2013 2.3100147949019 2014 0.0000000000000 2015 9.5288110289702 2016 0.0000000000000 2017 0.2887518493627 2018 2.5987666442646 2019 0.3739010272961 2020 23.6776516477442 2021 12.1275776732348 2022 5.2346143821454 2023 48.1731474158000 2024 49.8229127382589 2025 0.0000000000000 2026 1.3198122579671 2027 0.0000000000000 2028 4.6200295898037 2029 0.0000000000000 2030 7.7962999327938 2031 0.0000000000000 2032 15.3038480162249 2033 2.2434061637766 2034 19.3463739073032 2035 27.1426738400970 2036 19.0576220579404 2037 2.6173071910727 2038 23.3888997983815 2039 27.4314256894597 2040 23.3888997983815 2041 0.0000000000000 2042 17.8174654825561 2043 0.0000000000000 2044 11.8388258238721 2045 0.0000000000000 2046 28.5864330869107 2047 20.5013813047541 2048 2.6173071910727 2049 33.6552125781616 2050 0.0000000000000 2051 0.0000000000000 2052 0.0000000000000 2053 6.3525406859801 2054 0.0000000000000 2055 0.0000000000000 2056 3.4650221923528 2057 25.4063859658671 2058 5.5374433133438 2059 0.0000000000000 2060 13.8580287086548 2061 0.0000000000000 2062 4.6200295898037 2063 0.0000000000000 2064 8.3738036315193 2065 0.0000000000000 2066 1.7325110961764 2067 2.8875184936273 2068 2.9912082183688 2069 42.8938983839315 2070 35.3049779006205 2071 0.0000000000000 2072 5.6092020963603 2073 0.0000000000000 2074 0.0000000000000 2075 0.0000000000000 2076 0.0000000000000 2077 0.0000000000000 2078 0.0000000000000 2079 0.0000000000000 2080 12.3040562113709 2081 0.0000000000000 2082 0.0000000000000 2083 6.5990612898356 2084 0.0000000000000 2085 0.0000000000000 2086 0.0000000000000 2087 4.3312777404410 2088 0.0000000000000 2089 0.0000000000000 2090 0.0000000000000 2091 0.0000000000000 2092 0.0000000000000 2093 0.0000000000000 2094 7.5889204833110 2095 0.0000000000000 2096 0.0000000000000 2097 0.0000000000000 2098 0.0000000000000 2099 9.5288110289702 2100 0.0000000000000 2101 0.0000000000000 2102 0.0000000000000 2103 8.3738036315193 2104 0.0000000000000 2105 0.0000000000000 2106 2.0212629455391 2107 0.0000000000000 2108 8.2488266122945 2109 7.3173358069187 2110 0.0000000000000 2111 16.1677001600972 2112 0.0000000000000 2113 0.0000000000000 2114 0.0000000000000 2115 0.2887518493627 2116 0.0000000000000 2117 0.0000000000000 2118 0.0000000000000 2119 0.0000000000000 2120 0.0000000000000 2121 0.0000000000000 2122 0.0000000000000 2123 0.0000000000000 2124 0.0000000000000 2125 0.0000000000000 2126 1.7325110961764 2127 0.0000000000000 2128 0.0000000000000 2129 0.0000000000000 2130 0.0000000000000 2131 0.0000000000000 2132 1.1550073974509 2133 0.0000000000000 2134 0.0000000000000 2135 0.0000000000000 2136 0.0000000000000 2137 0.0000000000000 2138 0.7478020545922 2139 12.6052542611372 2140 8.2258226005141 2141 31.7627034299007 2142 1.0220476427949 2143 17.3251109617640 2144 0.0000000000000 2145 0.0000000000000 2146 0.0000000000000 2147 0.0000000000000 2148 0.0000000000000 2149 0.0000000000000 2150 0.0000000000000 2151 0.0000000000000 2152 0.0000000000000 2153 0.0000000000000 2154 0.0000000000000 2155 0.0000000000000 2156 0.0000000000000 2157 0.0000000000000 2158 0.0000000000000 2159 0.0000000000000 2160 0.0000000000000 2161 0.0000000000000 2162 0.0000000000000 2163 0.0000000000000 2164 0.0000000000000 2165 0.0000000000000 2166 0.0000000000000 2167 0.0000000000000 2168 0.0000000000000 2169 0.0000000000000 2170 0.0000000000000 2171 0.0000000000000 2172 0.0000000000000 2173 0.0000000000000 2174 0.0000000000000 2175 0.0000000000000 2176 0.0000000000000 2177 12.2082633861959 2178 0.0000000000000 2179 0.0000000000000 2180 0.0000000000000 2181 0.0000000000000 2182 0.0000000000000 2183 0.0000000000000 2184 0.0000000000000 2185 0.0000000000000 2186 0.0000000000000 2187 0.0000000000000 2188 0.0000000000000 2189 0.0000000000000 2190 0.0000000000000 2191 0.0000000000000 2192 0.0000000000000 2193 0.0000000000000 2194 0.0000000000000 2195 0.0000000000000 2196 0.0000000000000 2197 0.0000000000000 2198 0.0000000000000 2199 0.0000000000000 2200 0.0000000000000 2201 0.0000000000000 2202 0.0000000000000 2203 0.0000000000000 2204 0.0000000000000 2205 0.0000000000000 2206 0.0000000000000 2207 0.0000000000000 2208 0.0000000000000 2209 0.0000000000000 2210 0.0000000000000 2211 0.0000000000000 2212 0.0000000000000 2213 0.0000000000000 2214 0.0000000000000 2215 0.3739010272961 2216 1.7325110961764 2217 5.7750369872547 2218 0.0000000000000 2219 0.0000000000000 2220 0.0000000000000 2221 0.0000000000000 2222 0.0000000000000 2223 0.0000000000000 2224 0.0000000000000 2225 0.0000000000000 2226 0.0000000000000 2227 0.0000000000000 2228 0.0000000000000 2229 0.0000000000000 2230 0.0000000000000 2231 0.0000000000000 2232 0.0000000000000 2233 0.0000000000000 2234 0.0000000000000 2235 0.0000000000000 2236 0.0000000000000 2237 0.0000000000000 2238 0.0000000000000 2239 0.0000000000000 2240 0.0000000000000 2241 3.4068254759830 2242 18.4801183592150 2243 17.6138628111268 2244 0.0000000000000 2245 0.0000000000000 2246 0.0000000000000 2247 0.0000000000000 2248 0.0000000000000 2249 0.0000000000000 2250 0.0000000000000 2251 0.0000000000000 2252 0.5775036987255 2253 0.0000000000000 2254 0.0000000000000 2255 0.0000000000000 2256 0.0000000000000 2257 0.0000000000000 2258 0.0000000000000 2259 0.0000000000000 2260 0.0000000000000 2261 0.3739010272961 2262 4.3312777404410 2263 4.3312777404410 2264 10.5584980637370 2265 12.2614816224042 2266 0.3739010272961 2267 2.3096714514425 2268 0.0000000000000 2269 0.0000000000000 2270 0.0000000000000 2271 8.9513073302448 2272 0.0000000000000 2273 0.0000000000000 2274 0.0000000000000 2275 1.9845251953824 2276 0.0000000000000 2277 0.0000000000000 2278 0.0000000000000 2279 0.0000000000000 2280 0.8662555480882 2281 0.0000000000000 2282 0.0000000000000 2283 0.0000000000000 2284 13.2825850706858 2285 21.3676368528423 2286 0.3739010272961 2287 21.9451405515678 2288 9.8175628783330 2289 4.7628604689178 2290 1.8695051364805 2291 22.8113960996560 2292 4.0425258910783 2293 13.2825850706858 2294 0.0000000000000 2295 12.2082633861959 2296 1.0220476427949 2297 2.3100147949019 2298 0.3739010272961 2299 25.6989145932833 2300 4.0425258910783 2301 0.7478020545922 2302 23.0967145144246 2303 0.0000000000000 2304 0.0000000000000 2305 0.0000000000000 2306 0.8662555480882 2307 0.0000000000000 2308 0.0000000000000 2309 0.6599061289836 2310 0.0000000000000 2311 0.0000000000000 2312 0.0000000000000 2313 0.0000000000000 2314 0.0000000000000 2315 0.0000000000000 2316 0.0000000000000 2317 0.0000000000000 2318 0.0000000000000 2319 0.0000000000000 2320 0.0000000000000 2321 0.0000000000000 2322 0.0000000000000 2323 0.0000000000000 2324 0.0000000000000 2325 0.0000000000000 2326 0.0000000000000 2327 0.0000000000000 2328 0.0000000000000 2329 0.0000000000000 2330 0.0000000000000 2331 0.0000000000000 2332 0.2887518493627 2333 0.0000000000000 2334 0.3739010272961 2335 6.2691082253438 2336 5.7916033091712 2337 36.3827330197045 2338 21.3676368528423 2339 0.0000000000000 2340 6.9290143543274 2341 0.0000000000000 2342 0.0000000000000 2343 0.0000000000000 2344 0.2887518493627 2345 0.0000000000000 2346 9.5288110289702 2347 10.6838184264212 2348 0.0000000000000 2349 1.1550073974509 2350 0.0000000000000 2351 0.0000000000000 2352 15.0150961668622 2353 11.5500739745094 2354 0.0000000000000 2355 0.0000000000000 2356 8.5997236278102 2357 9.8797938803508 2358 21.3676368528423 2359 32.9177108273517 2360 8.5170636899576 2361 16.4588554136758 2362 32.3402071286262 2363 0.0000000000000 2364 13.5280756441630 2365 0.0000000000000 2366 0.0000000000000 2367 0.0000000000000 2368 0.0000000000000 2369 0.0000000000000 2370 0.0000000000000 2371 0.0000000000000 2372 0.0000000000000 2373 6.9300443847056 2374 0.0000000000000 2375 0.0000000000000 2376 0.0000000000000 2377 6.9300443847056 2378 0.0000000000000 2379 0.0000000000000 2380 0.0000000000000 2381 3.0661429283847 2382 0.0000000000000 2383 0.8662555480882 2384 1.3627301903932 2385 0.0000000000000 2386 1.1550073974509 2387 0.0000000000000 2388 0.0000000000000 2389 0.0000000000000 2390 0.0000000000000 2391 0.0000000000000 2392 7.5075480834311 2393 0.3739010272961 2394 15.5925998655876 2395 9.8175628783330 2396 0.0000000000000 2397 0.0000000000000 2398 0.0000000000000 2399 0.0000000000000 2400 0.0000000000000 2401 0.0000000000000 2402 0.0000000000000 2403 0.0000000000000 2404 0.0000000000000 2405 0.0000000000000 2406 0.0000000000000 2407 0.0000000000000 2408 0.0000000000000 2409 0.0000000000000 2410 0.0000000000000 2411 0.0000000000000 2412 0.0000000000000 2413 0.0000000000000 2414 0.0000000000000 2415 0.0000000000000 2416 0.0000000000000 2417 0.0000000000000 2418 0.0000000000000 2419 0.0000000000000 2420 0.0000000000000 2421 0.0000000000000 2422 0.0000000000000 2423 0.0000000000000 2424 0.0000000000000 2425 0.0000000000000 2426 0.0000000000000 2427 0.0000000000000 2428 0.0000000000000 2429 0.0000000000000 2430 0.0000000000000 2431 0.0000000000000 2432 1.4437592468137 2433 0.2887518493627 2434 0.0000000000000 2435 0.0000000000000 2436 0.0000000000000 2437 2.3100147949019 2438 3.7537740417155 2439 0.0000000000000 2440 0.0000000000000 2441 0.0000000000000 2442 0.0000000000000 2443 0.0000000000000 2444 0.0000000000000 2445 0.0000000000000 2446 0.0000000000000 2447 0.0000000000000 2448 0.0000000000000 2449 0.0000000000000 2450 0.0000000000000 2451 0.0000000000000 2452 0.0000000000000 2453 0.0000000000000 2454 0.0000000000000 2455 0.0000000000000 2456 0.0000000000000 2457 0.0000000000000 2458 0.0000000000000 2459 0.0000000000000 2460 0.0000000000000 2461 0.0000000000000 2462 0.0000000000000 2463 1.4437592468137 2464 0.0000000000000 2465 0.0000000000000 2466 0.0000000000000 2467 0.0000000000000 2468 0.0000000000000 2469 0.0000000000000 2470 0.0000000000000 2471 0.0000000000000 2472 0.0000000000000 2473 0.0000000000000 2474 0.0000000000000 2475 0.0000000000000 2476 0.0000000000000 2477 0.0000000000000 2478 0.0000000000000 2479 0.0000000000000 2480 0.0000000000000 2481 0.0000000000000 2482 0.0000000000000 2483 0.0000000000000 2484 0.0000000000000 2485 0.0000000000000 2486 0.0000000000000 2487 0.0000000000000 2488 0.0000000000000 2489 0.0000000000000 2490 0.0000000000000 2491 0.0000000000000 2492 0.0000000000000 2493 0.0000000000000 2494 0.0000000000000 2495 0.0000000000000 2496 0.0000000000000 2497 0.0000000000000 2498 0.0000000000000 2499 0.0000000000000 2500 0.0000000000000 2501 9.5288110289702 2502 0.0000000000000 2503 0.6599061289836 2504 5.9329749785827 2505 0.0000000000000 2506 0.0000000000000 2507 0.0000000000000 2508 0.0000000000000 2509 0.0000000000000 2510 0.0000000000000 2511 0.0000000000000 2512 0.0000000000000 2513 0.0000000000000 2514 0.0000000000000 2515 0.0000000000000 2516 0.0000000000000 2517 0.0000000000000 2518 0.0000000000000 2519 0.0000000000000 2520 0.0000000000000 2521 0.0000000000000 2522 0.0000000000000 2523 0.0000000000000 2524 0.0000000000000 2525 0.0000000000000 2526 0.0000000000000 2527 0.0000000000000 2528 0.0000000000000 2529 0.0000000000000 2530 0.0000000000000 2531 0.0000000000000 2532 0.0000000000000 2533 0.0000000000000 2534 0.0000000000000 2535 0.0000000000000 2536 0.0000000000000 2537 5.2792490318685 2538 0.9898591934753 2539 0.0000000000000 2540 0.0000000000000 2541 0.0000000000000 2542 0.0000000000000 2543 0.0000000000000 2544 0.0000000000000 2545 0.3739010272961 2546 0.5775036987255 2547 1.7325110961764 2548 4.4868123275532 2549 3.2995306449178 2550 8.2488266122945 2551 0.0000000000000 2552 0.0000000000000 2553 0.0000000000000 2554 0.0000000000000 2555 0.0000000000000 2556 0.8662555480882 2557 0.3739010272961 2558 27.1426738400970 2559 4.3312777404410 2560 20.7870430629822 2561 10.2838232962100 2562 1.1217030818883 2563 27.0561512883260 2564 0.0000000000000 2565 0.0000000000000 2566 0.0000000000000 2567 20.5013813047541 2568 0.0000000000000 2569 7.7962999327938 2570 24.5439071958324 2571 0.0000000000000 2572 1.1865949957165 2573 0.0000000000000 2574 33.6552125781616 2575 0.0000000000000 2576 0.0000000000000 2577 0.0000000000000 2578 0.0000000000000 2579 17.3251109617640 2580 1.1217030818883 2581 21.1169961274740 2582 0.0000000000000 2583 0.0000000000000 2584 0.0000000000000 2585 5.4862851378919 2586 0.0000000000000 2587 1.4437592468137 2588 15.8813517149504 2589 2.6173071910727 2590 36.2948370940959 2591 5.1102382139745 2592 30.6076960324498 2593 19.3463739073032 2594 0.0000000000000 2595 0.0000000000000 2596 0.0000000000000 2597 7.7962999327938 2598 0.0000000000000 2599 0.0000000000000 2600 0.0000000000000 2601 13.8600887694112 2602 12.1275776732348 2603 0.0000000000000 2604 0.0000000000000 2605 0.0000000000000 2606 2.3100147949019 2607 0.0000000000000 2608 0.0000000000000 2609 1.4956041091844 2610 9.8175628783330 2611 0.2887518493627 2612 15.3038480162249 2613 0.0000000000000 2614 11.2184041927205 2615 0.0000000000000 2616 0.0000000000000 2617 0.0000000000000 2618 2.0212629455391 2619 0.0000000000000 2620 0.0000000000000 2621 0.0000000000000 2622 0.0000000000000 2623 0.0000000000000 2624 0.0000000000000 2625 0.0000000000000 2626 0.0000000000000 2627 0.0000000000000 2628 2.2434061637766 2629 8.0850517821566 2630 7.2187962340684 2631 4.6200295898037 2632 0.0000000000000 2633 0.0000000000000 2634 0.0000000000000 2635 0.0000000000000 2636 0.0000000000000 2637 0.0000000000000 2638 0.0000000000000 2639 0.0000000000000 2640 0.0000000000000 2641 0.0000000000000 2642 0.0000000000000 2643 0.0000000000000 2644 0.0000000000000 2645 0.0000000000000 2646 0.0000000000000 2647 0.0000000000000 2648 0.0000000000000 2649 0.0000000000000 2650 0.0000000000000 2651 0.0000000000000 2652 0.0000000000000 2653 0.5775036987255 2654 0.0000000000000 2655 0.0000000000000 2656 0.0000000000000 2657 0.0000000000000 2658 7.2187962340684 2659 15.3038480162249 2660 0.0000000000000 2661 0.0000000000000 2662 9.5288110289702 2663 0.0000000000000 2664 0.0000000000000 2665 0.0000000000000 2666 0.0000000000000 2667 0.0000000000000 2668 0.0000000000000 2669 0.0000000000000 2670 0.0000000000000 2671 0.2887518493627 2672 0.0000000000000 2673 14.1879817731466 2674 0.0000000000000 2675 0.0000000000000 2676 0.0000000000000 2677 0.0000000000000 2678 0.0000000000000 2679 0.0000000000000 2680 2.5987666442646 2681 0.0000000000000 2682 0.0000000000000 2683 0.0000000000000 2684 8.9513073302448 2685 0.0000000000000 2686 0.0000000000000 2687 0.0000000000000 2688 0.0000000000000 2689 4.6193429028849 2690 0.0000000000000 2691 0.0000000000000 2692 0.0000000000000 2693 0.0000000000000 2694 0.0000000000000 2695 0.0000000000000 2696 0.0000000000000 2697 0.0000000000000 2698 0.0000000000000 2699 0.0000000000000 2700 0.0000000000000 2701 0.0000000000000 2702 0.0000000000000 2703 0.0000000000000 2704 0.0000000000000 2705 0.0000000000000 2706 0.0000000000000 2707 0.0000000000000 2708 0.0000000000000 2709 0.0000000000000 2710 0.0000000000000 2711 0.0000000000000 2712 0.0000000000000 2713 0.0000000000000 2714 0.0000000000000 2715 0.8662555480882 2716 0.0000000000000 2717 0.0000000000000 2718 0.0000000000000 2719 0.0000000000000 2720 0.0000000000000 2721 1.9797183869507 2722 1.9797183869507 2723 0.0000000000000 2724 0.0000000000000 2725 0.0000000000000 2726 0.0000000000000 2727 0.0000000000000 2728 0.0000000000000 2729 0.0000000000000 2730 0.0000000000000 2731 0.0000000000000 2732 0.0000000000000 2733 0.0000000000000 2734 0.0000000000000 2735 0.0000000000000 2736 0.0000000000000 2737 0.0000000000000 2738 0.0000000000000 2739 0.0000000000000 2740 0.0000000000000 2741 0.0000000000000 2742 0.0000000000000 2743 0.0000000000000 2744 0.0000000000000 2745 0.0000000000000 2746 0.0000000000000 2747 0.0000000000000 2748 0.0000000000000 2749 0.0000000000000 2750 0.0000000000000 2751 0.0000000000000 2752 1.1550073974509 2753 0.0000000000000 2754 1.3627301903932 2755 10.6838184264212 2756 2.9912082183688 2757 0.0000000000000 2758 0.0000000000000 2759 0.0000000000000 2760 5.1102382139745 2761 19.9238776060287 2762 25.9876664426461 2763 0.0000000000000 2764 0.0000000000000 2765 0.0000000000000 2766 0.0000000000000 2767 0.0000000000000 2768 0.0000000000000 2769 0.0000000000000 2770 0.0000000000000 2771 0.0000000000000 2772 0.0000000000000 2773 0.0000000000000 2774 0.0000000000000 2775 0.0000000000000 2776 0.0000000000000 2777 0.0000000000000 2778 0.0000000000000 2779 0.0000000000000 2780 0.0000000000000 2781 0.0000000000000 2782 0.0000000000000 2783 0.0000000000000 2784 0.2887518493627 2785 0.0000000000000 2786 2.8875184936273 2787 0.5775036987255 2788 0.0000000000000 2789 0.0000000000000 2790 0.0000000000000 2791 0.0000000000000 2792 0.3406825475983 2793 5.7750369872547 2794 0.0000000000000 2795 2.0212629455391 2796 2.2434061637766 2797 19.3463739073032 2798 19.0576220579404 2799 23.1001479490187 2800 0.0000000000000 2801 0.3299530644918 2802 0.0000000000000 2803 0.0000000000000 2804 0.0000000000000 2805 0.0000000000000 2806 0.0000000000000 2807 0.0000000000000 2808 0.0000000000000 2809 12.7009612504474 2810 0.0000000000000 2811 0.0000000000000 2812 0.0000000000000 2813 0.0000000000000 2814 0.0000000000000 2815 0.0000000000000 2816 0.0000000000000 2817 0.0000000000000 2818 0.0000000000000 2819 0.0000000000000 2820 0.0000000000000 2821 0.0000000000000 2822 0.0000000000000 2823 0.0000000000000 2824 0.0000000000000 2825 0.0000000000000 2826 0.0000000000000 2827 0.0000000000000 2828 0.0000000000000 2829 0.0000000000000 2830 0.0000000000000 2831 0.0000000000000 2832 0.0000000000000 2833 0.0000000000000 2834 0.0000000000000 2835 0.0000000000000 2836 0.0000000000000 2837 0.0000000000000 2838 0.0000000000000 2839 0.0000000000000 2840 0.0000000000000 2841 0.0000000000000 2842 0.0000000000000 2843 11.5500739745094 2844 0.0000000000000 2845 23.3888997983815 2846 2.0212629455391 2847 0.6813650951966 2848 0.0000000000000 2849 4.8607133548493 2850 4.0881905711796 2851 14.1488406187740 2852 28.0089293881852 2853 5.1102382139745 2854 1.4437592468137 2855 22.8113960996560 2856 0.0000000000000 2857 0.0000000000000 2858 0.0000000000000 2859 0.0000000000000 2860 0.0000000000000 2861 0.2887518493627 2862 0.0000000000000 2863 0.0000000000000 2864 3.1762703429901 2865 0.3739010272961 2866 6.9290143543274 2867 0.0000000000000 2868 0.0000000000000 2869 0.0000000000000 2870 0.0000000000000 2871 0.0000000000000 2872 0.0000000000000 2873 0.0000000000000 2874 0.0000000000000 2875 0.0000000000000 2876 0.0000000000000 2877 0.0000000000000 2878 0.0000000000000 2879 0.0000000000000 2880 0.0000000000000 2881 0.0000000000000 2882 0.0000000000000 2883 0.0000000000000 2884 0.0000000000000 2885 0.0000000000000 2886 0.0000000000000 2887 0.0000000000000 2888 0.8662555480882 2889 1.3627301903932 2890 2.5987666442646 2891 11.8388258238721 2892 0.0000000000000 2893 0.0000000000000 2894 0.0000000000000 2895 0.0000000000000 2896 0.0000000000000 2897 2.8875184936273 2898 0.0000000000000 2899 2.0212629455391 2900 14.7263443174994 2901 0.0000000000000 2902 8.9513073302448 2903 0.0000000000000 2904 0.0000000000000 2905 6.0637888366174 2906 25.9876664426461 2907 1.0220476427949 2908 7.5075480834311 2909 4.8607133548493 2910 5.1102382139745 2911 9.2400591796075 2912 9.2400591796075 2913 5.7916033091712 2914 5.7750369872547 2915 10.1063147276957 2916 0.0000000000000 2917 2.3096714514425 2918 0.0000000000000 2919 0.0000000000000 2920 0.0000000000000 2921 0.2887518493627 2922 0.0000000000000 2923 0.0000000000000 2924 2.6173071910727 2925 8.0850517821566 2926 25.9876664426461 2927 10.3950665770584 2928 12.5382164506877 2929 0.7910633304777 2930 0.0000000000000 2931 0.0000000000000 2932 0.0000000000000 2933 0.0000000000000 2934 0.0000000000000 2935 0.0000000000000 2936 0.0000000000000 2937 2.8875184936273 2938 0.0000000000000 2939 0.0000000000000 2940 0.2887518493627 2941 9.2400591796075 2942 3.3651092456649 2943 8.5787796767863 2944 13.1981225796712 2945 0.0000000000000 2946 0.0000000000000 2947 0.0000000000000 2948 0.0000000000000 2949 0.0000000000000 2950 1.4437592468137 2951 0.0000000000000 2952 1.1550073974509 2953 19.0576220579404 2954 0.0000000000000 2955 1.7325110961764 2956 0.0000000000000 2957 2.2434061637766 2958 13.5280756441630 2959 13.5280756441630 2960 0.7478020545922 2961 2.6396245159342 2962 1.0220476427949 2963 0.0000000000000 2964 0.0000000000000 2965 15.3038480162249 2966 0.0000000000000 2967 17.3251109617640 2968 0.0000000000000 2969 0.3739010272961 2970 5.1975332885292 2971 25.9876664426461 2972 4.1129113002571 2973 31.6754941912109 2974 25.7363390303589 2975 0.0000000000000 2976 12.8681695151794 2977 0.0000000000000 2978 0.0000000000000 2979 0.0000000000000 2980 9.5288110289702 2981 0.0000000000000 2982 0.0000000000000 2983 1.1550073974509 2984 1.4956041091844 2985 20.7870430629822 2986 5.7916033091712 2987 37.8264922665182 2988 24.5439071958324 2989 0.0000000000000 2990 21.7769022564575 2991 0.0000000000000 2992 0.0000000000000 2993 0.0000000000000 2994 3.7537740417155 2995 0.0000000000000 2996 9.2400591796075 2997 14.1488406187740 2998 0.0000000000000 2999 0.0000000000000 3000 2.2434061637766 3001 24.5439071958324 3002 26.2764182920088 3003 24.2551553464697 3004 2.9912082183688 3005 6.3525406859801 3006 19.6351257566659 3007 23.6776516477442 3008 1.4956041091844 3009 33.3252595136698 3010 28.7059166107849 thread: 1 is for 1 fine blocks. NB-update: atom-based nb list 314091 Number of SA arcs generated 113586 Number of SA arc points exposed 93191 with resolution (A) = .625000E-01 ======== FDPB Summary ======== Do FDPB every 1 steps Nonbonded Update residue cutoff is set to 99.0000000000000 fdpb cutoff is set to 5.0000000000000 sas cutoff is set to 9.0000000000000 nonbonded cutoff is set to 9.0000000000000 Grid Constants Grid dimension 55 53 51 Grid spacing set to 2.000 Grid boundary 14.500 126.500 -40.000 68.000 32.500 136.500 Dielectric Map Use cavity radii in the prmtop file Use probe-based SES definition Compute SAS/SAR every 1 steps Solvent probe radius 1.60000000000000 Surface dots per atom 366 Buried atom radii increment 0.80000000000000 Threshhold for exposed atom 0.20000000000000 Current SAS 0.00000000000000 Boundary conditions sum of grid charges as independent DH spheres Physical constants Solute dielectric constant : 1.00000000000000 Solvent dielectric constant : 80.0000000000000 Temperature (K) : 300.000000000000 Ionic strength (mM) : 0.00000000000000 Debye-Huckel parameter (1/A): 0.00000000000000 FD Solver Option Use Modified ICCG solver Iteration data Maximum iterations : 100 Convergence criteria: 1.000000000000000E-03 Iterations required : 32 Norm of the constant vector: 56328.0707681152 Norm of the residual vector: 46.2669633950735 Convergence achieved : 8.2138377480634676E-04 ======== FDPB Summary ======== Do FDPB every 1 steps Nonbonded Update residue cutoff is set to 99.0000000000000 fdpb cutoff is set to 5.0000000000000 sas cutoff is set to 9.0000000000000 nonbonded cutoff is set to 9.0000000000000 Grid Constants Grid dimension 177 177 177 Grid spacing set to 0.500 Grid boundary 27.000 116.000 -29.000 60.000 41.000 130.000 Dielectric Map Use cavity radii in the prmtop file Use probe-based SES definition Compute SAS/SAR every 1 steps Solvent probe radius 1.60000000000000 Surface dots per atom 366 Buried atom radii increment 0.80000000000000 Threshhold for exposed atom 0.20000000000000 Current SAS 0.00000000000000 Boundary conditions sum of grid charges as independent DH spheres Physical constants Solute dielectric constant : 1.00000000000000 Solvent dielectric constant : 80.0000000000000 Temperature (K) : 300.000000000000 Ionic strength (mM) : 0.00000000000000 Debye-Huckel parameter (1/A): 0.00000000000000 FD Solver Option Use Modified ICCG solver Iteration data Maximum iterations : 100 Convergence criteria: 1.000000000000000E-03 Iterations required : 69 Norm of the constant vector: 1588749.2772436051 Norm of the residual vector: 1547.6302227122073 Convergence achieved : 9.7411860063739122E-04 | ERF = -3887.3224567964 NSTEP = 1 TIME(PS) = 0.000 TEMP(K) = 0.00 PRESS = 0.0 Etot = -15865.3924 EKtot = 0.0000 EPtot = 0.0000 BOND = 0.0000 ANGLE = 0.0000 DIHED = 0.0000 1-4 NB = 0.0000 1-4 EEL = 0.0000 VDWAALS = -1534.2541 EELEC = -14331.1384 EPB = 0.0000 RESTRAINT = 0.0000 ECAVITY= 0.0000 EDISPER = 0.0000 ------------------------------------------------------------------------------ Maximum number of minimization cycles reached. FINAL RESULTS NSTEP = 1 TIME(PS) = 0.000 TEMP(K) = 0.00 PRESS = 0.0 Etot = -15865.3924 EKtot = 0.0000 EPtot = 0.0000 BOND = 0.0000 ANGLE = 0.0000 DIHED = 0.0000 1-4 NB = 0.0000 1-4 EEL = 0.0000 VDWAALS = -1534.2541 EELEC = -14331.1384 EPB = 0.0000 RESTRAINT = 0.0000 ECAVITY= 0.0000 EDISPER = 0.0000 ------------------------------------------------------------------------------ -------------------------------------------------------------------------------- 5. TIMINGS -------------------------------------------------------------------------------- | Total time 39.31 | Read prm/crd time 0.21 | Force time 39.10 | Nonbond force 39.10 | PB Nonbond 39.10 | PB NB list 0.25 | PB FD grid 0.04 | PB Sasa 0.13 | PB FD force 38.68 | PB Set linear sys 1.94 | PB Solver 31.47 | PB SA arc 4.84 | PB SA arc setup 0.06 | PB circle 3.31 | PB exclude 1.47 | PB exmol 1.89 | PB exmol setup 0.10 | PB exmol part a 0.04 | PB exmol part b 0.26 | PB exmol part c 0.09 | PB exmol part d 0.04 | PB exmol part e 0.40 | PB exmol part f 0.74 | PB epsbnd 0.04 | PB epsmap 0.18 | Job began at 18:28:47.599 on 03/17/2011 | Setup done at 18:28:47.813 on 03/17/2011 | Run done at 18:29:26.914 on 03/17/2011 | wallclock() was called 86 times