------------------------------------------------------- PBSA VERSION 2009 UC Irvine ------------------------------------------------------- | Run on 02/14/2014 at 16:51:25 [-O]verwriting output File Assignments: | MDIN: min.in | MDOUT: mdout.lig.min |INPCRD: inpcrd | PARM: prmtop | Here is the input file: complex &cntrl imin=1, maxcyc=1, cut=16, ntb=0, ipb=1, inp=0 / &pb buffer=8, xmin=-8.875d0, xmax=-2.948d0, ymin=-11.115d0,ymax=-4.756d0, zmin=-10.646d0,zmax=-3.309d0, cutnb=12., radiopt=0, dprob=1.4, npbverb=1, arcres=0.125, sprob=1.6, bcopt=5, eneopt=1, frcopt=0, smoothopt=0, / & end -------------------------------------------------------------------------------- 1. RESOURCE USE: -------------------------------------------------------------------------------- | Flags: | New format PARM file being parsed. | Version = 1.000 Date = 08/23/10 Time = 20:59:12 NATOM = 2330 NTYPES = 13 NBONH = 1183 MBONA = 1161 NTHETH = 2685 MTHETA = 1556 NPHIH = 5151 MPHIA = 3604 NHPARM = 0 NPARM = 0 NNB = 12790 NRES = 145 NBONA = 1161 NTHETA = 1556 NPHIA = 3604 NUMBND = 36 NUMANG = 78 NPTRA = 44 NATYP = 25 NPHB = 0 IFBOX = 0 NMXRS = 24 IFCAP = 0 NEXTRA = 0 NCOPY = 0 | Memory Use Allocated | Real 86293 | Hollerith 14127 | Integer 122044 | Max Pairs 1 | Max Rstack 1 | Max Istack 1 | Total 1206 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: 1342080 2714450 no. of atoms processed in PB initialization: 2330 NUM RESI NAME TYPE CHARGE ATM CRG/H GRP CRG PB RADI NP RADI 1 MET N N3 -0.597213 0.750000 0.886327 1.550000 1.824000 2 MET H1 H 0.449071 0.000000 0.000000 1.300000 0.600000 3 MET H2 H 0.449071 0.000000 0.000000 1.300000 0.600000 4 MET H3 H 0.449071 0.000000 0.000000 1.300000 0.600000 5 MET CA CT 0.060906 0.136327 1.699341 1.700000 1.908000 6 MET HA HP 0.075421 0.000000 0.000000 1.300000 1.100000 7 MET CB CT 0.051523 0.129375 0.270350 1.700000 1.908000 8 MET HB2 HC 0.038926 0.000000 0.000000 1.300000 1.487000 9 MET HB3 HC 0.038926 0.000000 0.000000 1.300000 1.487000 10 MET CG CT -0.254386 0.004648 -0.072829 1.700000 1.908000 11 MET HG2 H1 0.129517 0.000000 0.000000 1.300000 1.387000 12 MET HG3 H1 0.129517 0.000000 0.000000 1.300000 1.387000 13 MET SD S -0.206852 -0.206852 -0.100300 1.800000 2.000000 14 MET CE CT -0.284358 0.101904 -0.104948 1.700000 1.908000 15 MET HE1 H1 0.128754 0.000000 0.000000 1.300000 1.387000 16 MET HE2 H1 0.128754 0.000000 0.000000 1.300000 1.387000 17 MET HE3 H1 0.128754 0.000000 0.000000 1.300000 1.387000 18 MET C C 0.683639 0.683639 0.045361 1.700000 1.908000 19 MET O O -0.599042 -0.599042 0.084597 1.500000 1.661200 20 ASN N N -0.430106 -0.175563 0.612286 1.550000 1.824000 21 ASN H H 0.254543 0.000000 0.000000 1.300000 0.600000 22 ASN CA CT 0.044609 0.104210 0.538780 1.700000 1.908000 23 ASN HA H1 0.059601 0.000000 0.000000 1.300000 1.387000 24 ASN CB CT -0.093650 -0.007008 0.680721 1.700000 1.908000 25 ASN HB2 HC 0.043321 0.000000 0.000000 1.300000 1.487000 26 ASN HB3 HC 0.043321 0.000000 0.000000 1.300000 1.487000 27 ASN CG C 0.583519 0.583519 -0.021879 1.700000 1.908000 28 ASN OD1 O -0.526813 -0.526813 0.056706 1.500000 1.661200 29 ASN ND2 N -0.781735 -0.071577 0.511942 1.550000 1.824000 30 ASN HD21 H 0.355079 0.000000 0.000000 1.300000 0.600000 31 ASN HD22 H 0.355079 0.000000 0.000000 1.300000 0.600000 32 ASN C C 0.617141 0.617141 0.075226 1.700000 1.908000 33 ASN O O -0.523909 -0.523909 0.093232 1.500000 1.661200 34 ILE N N -0.451047 -0.122216 0.567244 1.550000 1.824000 35 ILE H H 0.328831 0.000000 0.000000 1.300000 0.600000 36 ILE CA CT -0.101874 0.072319 0.643386 1.700000 1.908000 37 ILE HA H1 0.174193 0.000000 0.000000 1.300000 1.387000 38 ILE CB CT 0.062238 0.123900 0.202243 1.700000 1.908000 39 ILE HB HC 0.061662 0.000000 0.000000 1.300000 1.487000 40 ILE CG2 CT -0.129989 -0.039308 0.084592 1.700000 1.908000 41 ILE HG21 HC 0.030227 0.000000 0.000000 1.300000 1.487000 42 ILE HG22 HC 0.030227 0.000000 0.000000 1.300000 1.487000 43 ILE HG23 HC 0.030227 0.000000 0.000000 1.300000 1.487000 44 ILE CG1 CT 0.022230 0.045332 0.139357 1.700000 1.908000 45 ILE HG12 HC 0.011551 0.000000 0.000000 1.300000 1.487000 46 ILE HG13 HC 0.011551 0.000000 0.000000 1.300000 1.487000 47 ILE CD1 CT -0.101251 -0.029875 0.015457 1.700000 1.908000 48 ILE HD11 HC 0.023792 0.000000 0.000000 1.300000 1.487000 49 ILE HD12 HC 0.023792 0.000000 0.000000 1.300000 1.487000 50 ILE HD13 HC 0.023792 0.000000 0.000000 1.300000 1.487000 51 ILE C C 0.569383 0.569383 -0.094414 1.700000 1.908000 52 ILE O O -0.619535 -0.619535 -0.050152 1.500000 1.661200 53 GLU N N -0.423392 -0.116581 0.549535 1.550000 1.824000 54 GLU H H 0.306811 0.000000 0.000000 1.300000 0.600000 55 GLU CA CT 0.031633 0.096733 0.517589 1.700000 1.908000 56 GLU HA H1 0.065100 0.000000 0.000000 1.300000 1.387000 57 GLU CB CT 0.074772 0.067702 0.122256 1.700000 1.908000 58 GLU HB2 HC -0.003535 0.000000 0.000000 1.300000 1.487000 59 GLU HB3 HC -0.003535 0.000000 0.000000 1.300000 1.487000 60 GLU CG CT -0.033909 -0.042179 0.790711 1.700000 1.908000 61 GLU HG2 HC -0.004135 0.000000 0.000000 1.300000 1.487000 62 GLU HG3 HC -0.004135 0.000000 0.000000 1.300000 1.487000 63 GLU CD C 0.765188 0.765188 -0.925061 1.700000 1.908000 64 GLU OE1 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 65 GLU OE2 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 66 GLU C C 0.469735 0.469735 -0.140441 1.700000 1.908000 67 GLU O O -0.592528 -0.592528 -0.122793 1.500000 1.661200 68 MET N N -0.394918 -0.114381 0.390753 1.550000 1.824000 69 MET H H 0.280537 0.000000 0.000000 1.300000 0.600000 70 MET CA CT -0.087681 0.035399 0.637609 1.700000 1.908000 71 MET HA H1 0.123080 0.000000 0.000000 1.300000 1.387000 72 MET CB CT 0.019227 0.116907 0.192595 1.700000 1.908000 73 MET HB2 HC 0.048840 0.000000 0.000000 1.300000 1.487000 74 MET HB3 HC 0.048840 0.000000 0.000000 1.300000 1.487000 75 MET CG CT -0.208167 0.040289 -0.054762 1.700000 1.908000 76 MET HG2 H1 0.124228 0.000000 0.000000 1.300000 1.387000 77 MET HG3 H1 0.124228 0.000000 0.000000 1.300000 1.387000 78 MET SD S -0.211958 -0.211958 -0.071185 1.800000 2.000000 79 MET CE CT -0.284698 0.100484 -0.111474 1.700000 1.908000 80 MET HE1 H1 0.128394 0.000000 0.000000 1.300000 1.387000 81 MET HE2 H1 0.128394 0.000000 0.000000 1.300000 1.387000 82 MET HE3 H1 0.128394 0.000000 0.000000 1.300000 1.387000 83 MET C C 0.599684 0.599684 -0.024077 1.700000 1.908000 84 MET O O -0.566424 -0.566424 0.033260 1.500000 1.661200 85 LEU N N -0.355153 -0.092736 0.542402 1.550000 1.824000 86 LEU H H 0.262417 0.000000 0.000000 1.300000 0.600000 87 LEU CA CT -0.101497 0.035454 0.476856 1.700000 1.908000 88 LEU HA H1 0.136951 0.000000 0.000000 1.300000 1.387000 89 LEU CB CT -0.144399 -0.039333 0.188928 1.700000 1.908000 90 LEU HB2 HC 0.052533 0.000000 0.000000 1.300000 1.487000 91 LEU HB3 HC 0.052533 0.000000 0.000000 1.300000 1.487000 92 LEU CG CT 0.191982 0.192807 0.041658 1.700000 1.908000 93 LEU HG HC 0.000825 0.000000 0.000000 1.300000 1.487000 94 LEU CD1 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 95 LEU HD11 HC 0.022376 0.000000 0.000000 1.300000 1.487000 96 LEU HD12 HC 0.022376 0.000000 0.000000 1.300000 1.487000 97 LEU HD13 HC 0.022376 0.000000 0.000000 1.300000 1.487000 98 LEU CD2 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 99 LEU HD21 HC 0.022376 0.000000 0.000000 1.300000 1.487000 100 LEU HD22 HC 0.022376 0.000000 0.000000 1.300000 1.487000 101 LEU HD23 HC 0.022376 0.000000 0.000000 1.300000 1.487000 102 LEU C C 0.573471 0.573471 -0.016108 1.700000 1.908000 103 LEU O O -0.557847 -0.557847 0.015624 1.500000 1.661200 104 ARG N N -0.300879 -0.067186 0.428170 1.550000 1.824000 105 ARG H H 0.233693 0.000000 0.000000 1.300000 0.600000 106 ARG CA CT -0.131381 -0.078115 0.677738 1.700000 1.908000 107 ARG HA H1 0.053266 0.000000 0.000000 1.300000 1.387000 108 ARG CB CT 0.036707 0.092731 0.032998 1.700000 1.908000 109 ARG HB2 HC 0.028012 0.000000 0.000000 1.300000 1.487000 110 ARG HB3 HC 0.028012 0.000000 0.000000 1.300000 1.487000 111 ARG CG CT 0.012454 0.018382 0.373738 1.700000 1.908000 112 ARG HG2 HC 0.002964 0.000000 0.000000 1.300000 1.487000 113 ARG HG3 HC 0.002964 0.000000 0.000000 1.300000 1.487000 114 ARG CD CT 0.126329 0.262625 0.142391 1.700000 1.908000 115 ARG HD2 H1 0.068148 0.000000 0.000000 1.300000 1.387000 116 ARG HD3 H1 0.068148 0.000000 0.000000 1.300000 1.387000 117 ARG NE N2 -0.464890 -0.138616 0.689552 1.550000 1.824000 118 ARG HE H 0.326274 0.000000 0.000000 1.300000 0.600000 119 ARG CZ CA 0.565543 0.565543 0.619587 1.700000 1.908000 120 ARG NH1 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 121 ARG HH11 H 0.391052 0.000000 0.000000 1.300000 0.600000 122 ARG HH12 H 0.391052 0.000000 0.000000 1.300000 0.600000 123 ARG NH2 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 124 ARG HH21 H 0.391052 0.000000 0.000000 1.300000 0.600000 125 ARG HH22 H 0.391052 0.000000 0.000000 1.300000 0.600000 126 ARG C C 0.730308 0.730308 -0.048355 1.700000 1.908000 127 ARG O O -0.578332 -0.578332 0.151976 1.500000 1.661200 128 ILE N N -0.451047 -0.122216 0.680411 1.550000 1.824000 129 ILE H H 0.328831 0.000000 0.000000 1.300000 0.600000 130 ILE CA CT -0.101874 0.072319 0.643386 1.700000 1.908000 131 ILE HA H1 0.174193 0.000000 0.000000 1.300000 1.387000 132 ILE CB CT 0.062238 0.123900 0.202243 1.700000 1.908000 133 ILE HB HC 0.061662 0.000000 0.000000 1.300000 1.487000 134 ILE CG2 CT -0.129989 -0.039308 0.084592 1.700000 1.908000 135 ILE HG21 HC 0.030227 0.000000 0.000000 1.300000 1.487000 136 ILE HG22 HC 0.030227 0.000000 0.000000 1.300000 1.487000 137 ILE HG23 HC 0.030227 0.000000 0.000000 1.300000 1.487000 138 ILE CG1 CT 0.022230 0.045332 0.139357 1.700000 1.908000 139 ILE HG12 HC 0.011551 0.000000 0.000000 1.300000 1.487000 140 ILE HG13 HC 0.011551 0.000000 0.000000 1.300000 1.487000 141 ILE CD1 CT -0.101251 -0.029875 0.015457 1.700000 1.908000 142 ILE HD11 HC 0.023792 0.000000 0.000000 1.300000 1.487000 143 ILE HD12 HC 0.023792 0.000000 0.000000 1.300000 1.487000 144 ILE HD13 HC 0.023792 0.000000 0.000000 1.300000 1.487000 145 ILE C C 0.569383 0.569383 -0.216358 1.700000 1.908000 146 ILE O O -0.619535 -0.619535 -0.050152 1.500000 1.661200 147 ASP N N -0.558201 -0.238525 0.420458 1.550000 1.824000 148 ASP H H 0.319676 0.000000 0.000000 1.300000 0.600000 149 ASP CA CT 0.007225 0.089600 0.217047 1.700000 1.908000 150 ASP HA H1 0.082375 0.000000 0.000000 1.300000 1.387000 151 ASP CB CT -0.047555 -0.077227 0.757541 1.700000 1.908000 152 ASP HB2 HC -0.014836 0.000000 0.000000 1.300000 1.487000 153 ASP HB3 HC -0.014836 0.000000 0.000000 1.300000 1.487000 154 ASP CG C 0.745168 0.745168 -0.792829 1.700000 1.908000 155 ASP OD1 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 156 ASP OD2 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 157 ASP C C 0.443199 0.443199 -0.085227 1.700000 1.908000 158 ASP O O -0.501445 -0.501445 -0.058246 1.500000 1.661200 159 GLU N N -0.423392 -0.116581 0.423351 1.550000 1.824000 160 GLU H H 0.306811 0.000000 0.000000 1.300000 0.600000 161 GLU CA CT 0.031633 0.096733 0.517589 1.700000 1.908000 162 GLU HA H1 0.065100 0.000000 0.000000 1.300000 1.387000 163 GLU CB CT 0.074772 0.067702 0.122256 1.700000 1.908000 164 GLU HB2 HC -0.003535 0.000000 0.000000 1.300000 1.487000 165 GLU HB3 HC -0.003535 0.000000 0.000000 1.300000 1.487000 166 GLU CG CT -0.033909 -0.042179 0.790711 1.700000 1.908000 167 GLU HG2 HC -0.004135 0.000000 0.000000 1.300000 1.487000 168 GLU HG3 HC -0.004135 0.000000 0.000000 1.300000 1.487000 169 GLU CD C 0.765188 0.765188 -0.925061 1.700000 1.908000 170 GLU OE1 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 171 GLU OE2 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 172 GLU C C 0.469735 0.469735 -0.146361 1.700000 1.908000 173 GLU O O -0.592528 -0.592528 -0.122793 1.500000 1.661200 174 GLY N N -0.374282 -0.120301 0.398308 1.550000 1.824000 175 GLY H H 0.253981 0.000000 0.000000 1.300000 0.600000 176 GLY CA CT -0.128844 0.048874 0.509157 1.700000 1.908000 177 GLY HA2 H0 0.088859 0.000000 0.000000 1.300000 1.387000 178 GLY HA3 H0 0.088859 0.000000 0.000000 1.300000 1.387000 179 GLY C C 0.580584 0.580584 0.027565 1.700000 1.908000 180 GLY O O -0.509157 -0.509157 0.071427 1.500000 1.661200 181 LEU N N -0.355153 -0.092736 0.523302 1.550000 1.824000 182 LEU H H 0.262417 0.000000 0.000000 1.300000 0.600000 183 LEU CA CT -0.101497 0.035454 0.476856 1.700000 1.908000 184 LEU HA H1 0.136951 0.000000 0.000000 1.300000 1.387000 185 LEU CB CT -0.144399 -0.039333 0.188928 1.700000 1.908000 186 LEU HB2 HC 0.052533 0.000000 0.000000 1.300000 1.487000 187 LEU HB3 HC 0.052533 0.000000 0.000000 1.300000 1.487000 188 LEU CG CT 0.191982 0.192807 0.041658 1.700000 1.908000 189 LEU HG HC 0.000825 0.000000 0.000000 1.300000 1.487000 190 LEU CD1 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 191 LEU HD11 HC 0.022376 0.000000 0.000000 1.300000 1.487000 192 LEU HD12 HC 0.022376 0.000000 0.000000 1.300000 1.487000 193 LEU HD13 HC 0.022376 0.000000 0.000000 1.300000 1.487000 194 LEU CD2 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 195 LEU HD21 HC 0.022376 0.000000 0.000000 1.300000 1.487000 196 LEU HD22 HC 0.022376 0.000000 0.000000 1.300000 1.487000 197 LEU HD23 HC 0.022376 0.000000 0.000000 1.300000 1.487000 198 LEU C C 0.573471 0.573471 -0.016108 1.700000 1.908000 199 LEU O O -0.557847 -0.557847 0.015624 1.500000 1.661200 200 ARG N N -0.300879 -0.067186 0.428170 1.550000 1.824000 201 ARG H H 0.233693 0.000000 0.000000 1.300000 0.600000 202 ARG CA CT -0.131381 -0.078115 0.677738 1.700000 1.908000 203 ARG HA H1 0.053266 0.000000 0.000000 1.300000 1.387000 204 ARG CB CT 0.036707 0.092731 0.032998 1.700000 1.908000 205 ARG HB2 HC 0.028012 0.000000 0.000000 1.300000 1.487000 206 ARG HB3 HC 0.028012 0.000000 0.000000 1.300000 1.487000 207 ARG CG CT 0.012454 0.018382 0.373738 1.700000 1.908000 208 ARG HG2 HC 0.002964 0.000000 0.000000 1.300000 1.487000 209 ARG HG3 HC 0.002964 0.000000 0.000000 1.300000 1.487000 210 ARG CD CT 0.126329 0.262625 0.142391 1.700000 1.908000 211 ARG HD2 H1 0.068148 0.000000 0.000000 1.300000 1.387000 212 ARG HD3 H1 0.068148 0.000000 0.000000 1.300000 1.387000 213 ARG NE N2 -0.464890 -0.138616 0.689552 1.550000 1.824000 214 ARG HE H 0.326274 0.000000 0.000000 1.300000 0.600000 215 ARG CZ CA 0.565543 0.565543 0.619587 1.700000 1.908000 216 ARG NH1 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 217 ARG HH11 H 0.391052 0.000000 0.000000 1.300000 0.600000 218 ARG HH12 H 0.391052 0.000000 0.000000 1.300000 0.600000 219 ARG NH2 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 220 ARG HH21 H 0.391052 0.000000 0.000000 1.300000 0.600000 221 ARG HH22 H 0.391052 0.000000 0.000000 1.300000 0.600000 222 ARG C C 0.730308 0.730308 -0.018875 1.700000 1.908000 223 ARG O O -0.578332 -0.578332 0.151976 1.500000 1.661200 224 LEU N N -0.355153 -0.092736 0.673026 1.550000 1.824000 225 LEU H H 0.262417 0.000000 0.000000 1.300000 0.600000 226 LEU CA CT -0.101497 0.035454 0.476856 1.700000 1.908000 227 LEU HA H1 0.136951 0.000000 0.000000 1.300000 1.387000 228 LEU CB CT -0.144399 -0.039333 0.188928 1.700000 1.908000 229 LEU HB2 HC 0.052533 0.000000 0.000000 1.300000 1.487000 230 LEU HB3 HC 0.052533 0.000000 0.000000 1.300000 1.487000 231 LEU CG CT 0.191982 0.192807 0.041658 1.700000 1.908000 232 LEU HG HC 0.000825 0.000000 0.000000 1.300000 1.487000 233 LEU CD1 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 234 LEU HD11 HC 0.022376 0.000000 0.000000 1.300000 1.487000 235 LEU HD12 HC 0.022376 0.000000 0.000000 1.300000 1.487000 236 LEU HD13 HC 0.022376 0.000000 0.000000 1.300000 1.487000 237 LEU CD2 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 238 LEU HD21 HC 0.022376 0.000000 0.000000 1.300000 1.487000 239 LEU HD22 HC 0.022376 0.000000 0.000000 1.300000 1.487000 240 LEU HD23 HC 0.022376 0.000000 0.000000 1.300000 1.487000 241 LEU C C 0.573471 0.573471 -0.133495 1.700000 1.908000 242 LEU O O -0.557847 -0.557847 0.015624 1.500000 1.661200 243 LYS N N -0.435875 -0.184573 0.479603 1.550000 1.824000 244 LYS H H 0.251302 0.000000 0.000000 1.300000 0.600000 245 LYS CA CT -0.038773 0.090705 0.613416 1.700000 1.908000 246 LYS HA H1 0.129478 0.000000 0.000000 1.300000 1.387000 247 LYS CB CT -0.108273 -0.017845 0.126617 1.700000 1.908000 248 LYS HB2 HC 0.045214 0.000000 0.000000 1.300000 1.487000 249 LYS HB3 HC 0.045214 0.000000 0.000000 1.300000 1.487000 250 LYS CG CT 0.033341 0.053757 0.129501 1.700000 1.908000 251 LYS HG2 HC 0.010208 0.000000 0.000000 1.300000 1.487000 252 LYS HG3 HC 0.010208 0.000000 0.000000 1.300000 1.487000 253 LYS CD CT -0.047841 0.093589 0.316416 1.700000 1.908000 254 LYS HD2 HC 0.070715 0.000000 0.000000 1.300000 1.487000 255 LYS HD3 HC 0.070715 0.000000 0.000000 1.300000 1.487000 256 LYS CE CT -0.069974 0.169070 0.895984 1.700000 1.908000 257 LYS HE2 HP 0.119522 0.000000 0.000000 1.300000 1.100000 258 LYS HE3 HP 0.119522 0.000000 0.000000 1.300000 1.100000 259 LYS NZ N3 -0.250358 0.633325 0.802395 1.550000 1.824000 260 LYS HZ1 H 0.294561 0.000000 0.000000 1.300000 0.600000 261 LYS HZ2 H 0.294561 0.000000 0.000000 1.300000 0.600000 262 LYS HZ3 H 0.294561 0.000000 0.000000 1.300000 0.600000 263 LYS C C 0.725129 0.725129 0.130461 1.700000 1.908000 264 LYS O O -0.563157 -0.563157 0.161972 1.500000 1.661200 265 ILE N N -0.451047 -0.122216 0.675232 1.550000 1.824000 266 ILE H H 0.328831 0.000000 0.000000 1.300000 0.600000 267 ILE CA CT -0.101874 0.072319 0.643386 1.700000 1.908000 268 ILE HA H1 0.174193 0.000000 0.000000 1.300000 1.387000 269 ILE CB CT 0.062238 0.123900 0.202243 1.700000 1.908000 270 ILE HB HC 0.061662 0.000000 0.000000 1.300000 1.487000 271 ILE CG2 CT -0.129989 -0.039308 0.084592 1.700000 1.908000 272 ILE HG21 HC 0.030227 0.000000 0.000000 1.300000 1.487000 273 ILE HG22 HC 0.030227 0.000000 0.000000 1.300000 1.487000 274 ILE HG23 HC 0.030227 0.000000 0.000000 1.300000 1.487000 275 ILE CG1 CT 0.022230 0.045332 0.139357 1.700000 1.908000 276 ILE HG12 HC 0.011551 0.000000 0.000000 1.300000 1.487000 277 ILE HG13 HC 0.011551 0.000000 0.000000 1.300000 1.487000 278 ILE CD1 CT -0.101251 -0.029875 0.015457 1.700000 1.908000 279 ILE HD11 HC 0.023792 0.000000 0.000000 1.300000 1.487000 280 ILE HD12 HC 0.023792 0.000000 0.000000 1.300000 1.487000 281 ILE HD13 HC 0.023792 0.000000 0.000000 1.300000 1.487000 282 ILE C C 0.569383 0.569383 -0.201872 1.700000 1.908000 283 ILE O O -0.619535 -0.619535 -0.050152 1.500000 1.661200 284 TYR N N -0.487560 -0.224039 0.450459 1.550000 1.824000 285 TYR H H 0.263521 0.000000 0.000000 1.300000 0.600000 286 TYR CA CT 0.009614 0.105115 0.489803 1.700000 1.908000 287 TYR HA H1 0.095501 0.000000 0.000000 1.300000 1.387000 288 TYR CB CT -0.051853 -0.013563 0.204153 1.700000 1.908000 289 TYR HB2 HC 0.019145 0.000000 0.000000 1.300000 1.487000 290 TYR HB3 HC 0.019145 0.000000 0.000000 1.300000 1.487000 291 TYR CG CA 0.112601 0.112601 -0.002454 1.700000 1.908000 292 TYR CD1 CA -0.183461 -0.050746 0.017335 1.700000 1.908000 293 TYR HD1 HA 0.132715 0.000000 0.000000 1.300000 1.459000 294 TYR CE1 CA -0.181823 -0.044520 0.111011 1.700000 1.908000 295 TYR HE1 HA 0.137303 0.000000 0.000000 1.300000 1.459000 296 TYR CZ C 0.206277 0.206277 0.025695 1.700000 1.908000 297 TYR OH OH -0.421233 -0.091542 0.114735 1.500000 1.721000 298 TYR HH HO 0.329691 0.000000 0.000000 0.800000 0.000000 299 TYR CE2 CA -0.181823 -0.044520 0.111011 1.700000 1.908000 300 TYR HE2 HA 0.137303 0.000000 0.000000 1.300000 1.459000 301 TYR CD2 CA -0.183461 -0.050746 0.017335 1.700000 1.908000 302 TYR HD2 HA 0.132715 0.000000 0.000000 1.300000 1.459000 303 TYR C C 0.622290 0.622290 0.016225 1.700000 1.908000 304 TYR O O -0.526607 -0.526607 0.095683 1.500000 1.661200 305 LYS N N -0.435875 -0.184573 0.528422 1.550000 1.824000 306 LYS H H 0.251302 0.000000 0.000000 1.300000 0.600000 307 LYS CA CT -0.038773 0.090705 0.613416 1.700000 1.908000 308 LYS HA H1 0.129478 0.000000 0.000000 1.300000 1.387000 309 LYS CB CT -0.108273 -0.017845 0.126617 1.700000 1.908000 310 LYS HB2 HC 0.045214 0.000000 0.000000 1.300000 1.487000 311 LYS HB3 HC 0.045214 0.000000 0.000000 1.300000 1.487000 312 LYS CG CT 0.033341 0.053757 0.129501 1.700000 1.908000 313 LYS HG2 HC 0.010208 0.000000 0.000000 1.300000 1.487000 314 LYS HG3 HC 0.010208 0.000000 0.000000 1.300000 1.487000 315 LYS CD CT -0.047841 0.093589 0.316416 1.700000 1.908000 316 LYS HD2 HC 0.070715 0.000000 0.000000 1.300000 1.487000 317 LYS HD3 HC 0.070715 0.000000 0.000000 1.300000 1.487000 318 LYS CE CT -0.069974 0.169070 0.895984 1.700000 1.908000 319 LYS HE2 HP 0.119522 0.000000 0.000000 1.300000 1.100000 320 LYS HE3 HP 0.119522 0.000000 0.000000 1.300000 1.100000 321 LYS NZ N3 -0.250358 0.633325 0.802395 1.550000 1.824000 322 LYS HZ1 H 0.294561 0.000000 0.000000 1.300000 0.600000 323 LYS HZ2 H 0.294561 0.000000 0.000000 1.300000 0.600000 324 LYS HZ3 H 0.294561 0.000000 0.000000 1.300000 0.600000 325 LYS C C 0.725129 0.725129 0.014152 1.700000 1.908000 326 LYS O O -0.563157 -0.563157 0.161972 1.500000 1.661200 327 ASP N N -0.558201 -0.238525 0.576204 1.550000 1.824000 328 ASP H H 0.319676 0.000000 0.000000 1.300000 0.600000 329 ASP CA CT 0.007225 0.089600 0.217047 1.700000 1.908000 330 ASP HA H1 0.082375 0.000000 0.000000 1.300000 1.387000 331 ASP CB CT -0.047555 -0.077227 0.757541 1.700000 1.908000 332 ASP HB2 HC -0.014836 0.000000 0.000000 1.300000 1.487000 333 ASP HB3 HC -0.014836 0.000000 0.000000 1.300000 1.487000 334 ASP CG C 0.745168 0.745168 -0.792829 1.700000 1.908000 335 ASP OD1 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 336 ASP OD2 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 337 ASP C C 0.443199 0.443199 -0.085227 1.700000 1.908000 338 ASP O O -0.501445 -0.501445 -0.058246 1.500000 1.661200 339 GLU N N -0.423392 -0.116581 0.423351 1.550000 1.824000 340 GLU H H 0.306811 0.000000 0.000000 1.300000 0.600000 341 GLU CA CT 0.031633 0.096733 0.517589 1.700000 1.908000 342 GLU HA H1 0.065100 0.000000 0.000000 1.300000 1.387000 343 GLU CB CT 0.074772 0.067702 0.122256 1.700000 1.908000 344 GLU HB2 HC -0.003535 0.000000 0.000000 1.300000 1.487000 345 GLU HB3 HC -0.003535 0.000000 0.000000 1.300000 1.487000 346 GLU CG CT -0.033909 -0.042179 0.790711 1.700000 1.908000 347 GLU HG2 HC -0.004135 0.000000 0.000000 1.300000 1.487000 348 GLU HG3 HC -0.004135 0.000000 0.000000 1.300000 1.487000 349 GLU CD C 0.765188 0.765188 -0.925061 1.700000 1.908000 350 GLU OE1 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 351 GLU OE2 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 352 GLU C C 0.469735 0.469735 -0.146361 1.700000 1.908000 353 GLU O O -0.592528 -0.592528 -0.122793 1.500000 1.661200 354 GLY N N -0.374282 -0.120301 0.398308 1.550000 1.824000 355 GLY H H 0.253981 0.000000 0.000000 1.300000 0.600000 356 GLY CA CT -0.128844 0.048874 0.509157 1.700000 1.908000 357 GLY HA2 H0 0.088859 0.000000 0.000000 1.300000 1.387000 358 GLY HA3 H0 0.088859 0.000000 0.000000 1.300000 1.387000 359 GLY C C 0.580584 0.580584 -0.103738 1.700000 1.908000 360 GLY O O -0.509157 -0.509157 0.071427 1.500000 1.661200 361 TYR N N -0.487560 -0.224039 0.461660 1.550000 1.824000 362 TYR H H 0.263521 0.000000 0.000000 1.300000 0.600000 363 TYR CA CT 0.009614 0.105115 0.489803 1.700000 1.908000 364 TYR HA H1 0.095501 0.000000 0.000000 1.300000 1.387000 365 TYR CB CT -0.051853 -0.013563 0.204153 1.700000 1.908000 366 TYR HB2 HC 0.019145 0.000000 0.000000 1.300000 1.487000 367 TYR HB3 HC 0.019145 0.000000 0.000000 1.300000 1.487000 368 TYR CG CA 0.112601 0.112601 -0.002454 1.700000 1.908000 369 TYR CD1 CA -0.183461 -0.050746 0.017335 1.700000 1.908000 370 TYR HD1 HA 0.132715 0.000000 0.000000 1.300000 1.459000 371 TYR CE1 CA -0.181823 -0.044520 0.111011 1.700000 1.908000 372 TYR HE1 HA 0.137303 0.000000 0.000000 1.300000 1.459000 373 TYR CZ C 0.206277 0.206277 0.025695 1.700000 1.908000 374 TYR OH OH -0.421233 -0.091542 0.114735 1.500000 1.721000 375 TYR HH HO 0.329691 0.000000 0.000000 0.800000 0.000000 376 TYR CE2 CA -0.181823 -0.044520 0.111011 1.700000 1.908000 377 TYR HE2 HA 0.137303 0.000000 0.000000 1.300000 1.459000 378 TYR CD2 CA -0.183461 -0.050746 0.017335 1.700000 1.908000 379 TYR HD2 HA 0.132715 0.000000 0.000000 1.300000 1.459000 380 TYR C C 0.622290 0.622290 -0.023241 1.700000 1.908000 381 TYR O O -0.526607 -0.526607 0.095683 1.500000 1.661200 382 TYR N N -0.487560 -0.224039 0.503366 1.550000 1.824000 383 TYR H H 0.263521 0.000000 0.000000 1.300000 0.600000 384 TYR CA CT 0.009614 0.105115 0.489803 1.700000 1.908000 385 TYR HA H1 0.095501 0.000000 0.000000 1.300000 1.387000 386 TYR CB CT -0.051853 -0.013563 0.204153 1.700000 1.908000 387 TYR HB2 HC 0.019145 0.000000 0.000000 1.300000 1.487000 388 TYR HB3 HC 0.019145 0.000000 0.000000 1.300000 1.487000 389 TYR CG CA 0.112601 0.112601 -0.002454 1.700000 1.908000 390 TYR CD1 CA -0.183461 -0.050746 0.017335 1.700000 1.908000 391 TYR HD1 HA 0.132715 0.000000 0.000000 1.300000 1.459000 392 TYR CE1 CA -0.181823 -0.044520 0.111011 1.700000 1.908000 393 TYR HE1 HA 0.137303 0.000000 0.000000 1.300000 1.459000 394 TYR CZ C 0.206277 0.206277 0.025695 1.700000 1.908000 395 TYR OH OH -0.421233 -0.091542 0.114735 1.500000 1.721000 396 TYR HH HO 0.329691 0.000000 0.000000 0.800000 0.000000 397 TYR CE2 CA -0.181823 -0.044520 0.111011 1.700000 1.908000 398 TYR HE2 HA 0.137303 0.000000 0.000000 1.300000 1.459000 399 TYR CD2 CA -0.183461 -0.050746 0.017335 1.700000 1.908000 400 TYR HD2 HA 0.132715 0.000000 0.000000 1.300000 1.459000 401 TYR C C 0.622290 0.622290 0.078582 1.700000 1.908000 402 TYR O O -0.526607 -0.526607 0.095683 1.500000 1.661200 403 ILE N N -0.451047 -0.122216 0.572393 1.550000 1.824000 404 ILE H H 0.328831 0.000000 0.000000 1.300000 0.600000 405 ILE CA CT -0.101874 0.072319 0.643386 1.700000 1.908000 406 ILE HA H1 0.174193 0.000000 0.000000 1.300000 1.387000 407 ILE CB CT 0.062238 0.123900 0.202243 1.700000 1.908000 408 ILE HB HC 0.061662 0.000000 0.000000 1.300000 1.487000 409 ILE CG2 CT -0.129989 -0.039308 0.084592 1.700000 1.908000 410 ILE HG21 HC 0.030227 0.000000 0.000000 1.300000 1.487000 411 ILE HG22 HC 0.030227 0.000000 0.000000 1.300000 1.487000 412 ILE HG23 HC 0.030227 0.000000 0.000000 1.300000 1.487000 413 ILE CG1 CT 0.022230 0.045332 0.139357 1.700000 1.908000 414 ILE HG12 HC 0.011551 0.000000 0.000000 1.300000 1.487000 415 ILE HG13 HC 0.011551 0.000000 0.000000 1.300000 1.487000 416 ILE CD1 CT -0.101251 -0.029875 0.015457 1.700000 1.908000 417 ILE HD11 HC 0.023792 0.000000 0.000000 1.300000 1.487000 418 ILE HD12 HC 0.023792 0.000000 0.000000 1.300000 1.487000 419 ILE HD13 HC 0.023792 0.000000 0.000000 1.300000 1.487000 420 ILE C C 0.569383 0.569383 -0.098134 1.700000 1.908000 421 ILE O O -0.619535 -0.619535 -0.050152 1.500000 1.661200 422 GLY N N -0.374282 -0.120301 0.497956 1.550000 1.824000 423 GLY H H 0.253981 0.000000 0.000000 1.300000 0.600000 424 GLY CA CT -0.128844 0.048874 0.509157 1.700000 1.908000 425 GLY HA2 H0 0.088859 0.000000 0.000000 1.300000 1.387000 426 GLY HA3 H0 0.088859 0.000000 0.000000 1.300000 1.387000 427 GLY C C 0.580584 0.580584 -0.001915 1.700000 1.908000 428 GLY O O -0.509157 -0.509157 0.071427 1.500000 1.661200 429 ILE N N -0.451047 -0.122216 0.530687 1.550000 1.824000 430 ILE H H 0.328831 0.000000 0.000000 1.300000 0.600000 431 ILE CA CT -0.101874 0.072319 0.643386 1.700000 1.908000 432 ILE HA H1 0.174193 0.000000 0.000000 1.300000 1.387000 433 ILE CB CT 0.062238 0.123900 0.202243 1.700000 1.908000 434 ILE HB HC 0.061662 0.000000 0.000000 1.300000 1.487000 435 ILE CG2 CT -0.129989 -0.039308 0.084592 1.700000 1.908000 436 ILE HG21 HC 0.030227 0.000000 0.000000 1.300000 1.487000 437 ILE HG22 HC 0.030227 0.000000 0.000000 1.300000 1.487000 438 ILE HG23 HC 0.030227 0.000000 0.000000 1.300000 1.487000 439 ILE CG1 CT 0.022230 0.045332 0.139357 1.700000 1.908000 440 ILE HG12 HC 0.011551 0.000000 0.000000 1.300000 1.487000 441 ILE HG13 HC 0.011551 0.000000 0.000000 1.300000 1.487000 442 ILE CD1 CT -0.101251 -0.029875 0.015457 1.700000 1.908000 443 ILE HD11 HC 0.023792 0.000000 0.000000 1.300000 1.487000 444 ILE HD12 HC 0.023792 0.000000 0.000000 1.300000 1.487000 445 ILE HD13 HC 0.023792 0.000000 0.000000 1.300000 1.487000 446 ILE C C 0.569383 0.569383 -0.098134 1.700000 1.908000 447 ILE O O -0.619535 -0.619535 -0.050152 1.500000 1.661200 448 GLY N N -0.374282 -0.120301 0.497956 1.550000 1.824000 449 GLY H H 0.253981 0.000000 0.000000 1.300000 0.600000 450 GLY CA CT -0.128844 0.048874 0.509157 1.700000 1.908000 451 GLY HA2 H0 0.088859 0.000000 0.000000 1.300000 1.387000 452 GLY HA3 H0 0.088859 0.000000 0.000000 1.300000 1.387000 453 GLY C C 0.580584 0.580584 0.027565 1.700000 1.908000 454 GLY O O -0.509157 -0.509157 0.071427 1.500000 1.661200 455 LEU N N -0.355153 -0.092736 0.523302 1.550000 1.824000 456 LEU H H 0.262417 0.000000 0.000000 1.300000 0.600000 457 LEU CA CT -0.101497 0.035454 0.476856 1.700000 1.908000 458 LEU HA H1 0.136951 0.000000 0.000000 1.300000 1.387000 459 LEU CB CT -0.144399 -0.039333 0.188928 1.700000 1.908000 460 LEU HB2 HC 0.052533 0.000000 0.000000 1.300000 1.487000 461 LEU HB3 HC 0.052533 0.000000 0.000000 1.300000 1.487000 462 LEU CG CT 0.191982 0.192807 0.041658 1.700000 1.908000 463 LEU HG HC 0.000825 0.000000 0.000000 1.300000 1.487000 464 LEU CD1 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 465 LEU HD11 HC 0.022376 0.000000 0.000000 1.300000 1.487000 466 LEU HD12 HC 0.022376 0.000000 0.000000 1.300000 1.487000 467 LEU HD13 HC 0.022376 0.000000 0.000000 1.300000 1.487000 468 LEU CD2 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 469 LEU HD21 HC 0.022376 0.000000 0.000000 1.300000 1.487000 470 LEU HD22 HC 0.022376 0.000000 0.000000 1.300000 1.487000 471 LEU HD23 HC 0.022376 0.000000 0.000000 1.300000 1.487000 472 LEU C C 0.573471 0.573471 -0.041658 1.700000 1.908000 473 LEU O O -0.557847 -0.557847 0.015624 1.500000 1.661200 474 LEU N N -0.355153 -0.092736 0.516189 1.550000 1.824000 475 LEU H H 0.262417 0.000000 0.000000 1.300000 0.600000 476 LEU CA CT -0.101497 0.035454 0.476856 1.700000 1.908000 477 LEU HA H1 0.136951 0.000000 0.000000 1.300000 1.387000 478 LEU CB CT -0.144399 -0.039333 0.188928 1.700000 1.908000 479 LEU HB2 HC 0.052533 0.000000 0.000000 1.300000 1.487000 480 LEU HB3 HC 0.052533 0.000000 0.000000 1.300000 1.487000 481 LEU CG CT 0.191982 0.192807 0.041658 1.700000 1.908000 482 LEU HG HC 0.000825 0.000000 0.000000 1.300000 1.487000 483 LEU CD1 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 484 LEU HD11 HC 0.022376 0.000000 0.000000 1.300000 1.487000 485 LEU HD12 HC 0.022376 0.000000 0.000000 1.300000 1.487000 486 LEU HD13 HC 0.022376 0.000000 0.000000 1.300000 1.487000 487 LEU CD2 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 488 LEU HD21 HC 0.022376 0.000000 0.000000 1.300000 1.487000 489 LEU HD22 HC 0.022376 0.000000 0.000000 1.300000 1.487000 490 LEU HD23 HC 0.022376 0.000000 0.000000 1.300000 1.487000 491 LEU C C 0.573471 0.573471 -0.133495 1.700000 1.908000 492 LEU O O -0.557847 -0.557847 0.015624 1.500000 1.661200 493 LYS N N -0.435875 -0.184573 0.479603 1.550000 1.824000 494 LYS H H 0.251302 0.000000 0.000000 1.300000 0.600000 495 LYS CA CT -0.038773 0.090705 0.613416 1.700000 1.908000 496 LYS HA H1 0.129478 0.000000 0.000000 1.300000 1.387000 497 LYS CB CT -0.108273 -0.017845 0.126617 1.700000 1.908000 498 LYS HB2 HC 0.045214 0.000000 0.000000 1.300000 1.487000 499 LYS HB3 HC 0.045214 0.000000 0.000000 1.300000 1.487000 500 LYS CG CT 0.033341 0.053757 0.129501 1.700000 1.908000 501 LYS HG2 HC 0.010208 0.000000 0.000000 1.300000 1.487000 502 LYS HG3 HC 0.010208 0.000000 0.000000 1.300000 1.487000 503 LYS CD CT -0.047841 0.093589 0.316416 1.700000 1.908000 504 LYS HD2 HC 0.070715 0.000000 0.000000 1.300000 1.487000 505 LYS HD3 HC 0.070715 0.000000 0.000000 1.300000 1.487000 506 LYS CE CT -0.069974 0.169070 0.895984 1.700000 1.908000 507 LYS HE2 HP 0.119522 0.000000 0.000000 1.300000 1.100000 508 LYS HE3 HP 0.119522 0.000000 0.000000 1.300000 1.100000 509 LYS NZ N3 -0.250358 0.633325 0.802395 1.550000 1.824000 510 LYS HZ1 H 0.294561 0.000000 0.000000 1.300000 0.600000 511 LYS HZ2 H 0.294561 0.000000 0.000000 1.300000 0.600000 512 LYS HZ3 H 0.294561 0.000000 0.000000 1.300000 0.600000 513 LYS C C 0.725129 0.725129 0.056662 1.700000 1.908000 514 LYS O O -0.563157 -0.563157 0.161972 1.500000 1.661200 515 SER N N -0.541430 -0.196015 0.789431 1.550000 1.824000 516 SER H H 0.345415 0.000000 0.000000 1.300000 0.600000 517 SER CA CT 0.118140 0.260317 0.774886 1.700000 1.908000 518 SER HA H1 0.142177 0.000000 0.000000 1.300000 1.387000 519 SER CB CT 0.146998 0.227160 0.293420 1.700000 1.908000 520 SER HB2 H1 0.040081 0.000000 0.000000 1.300000 1.387000 521 SER HB3 H1 0.040081 0.000000 0.000000 1.300000 1.387000 522 SER OG OH -0.640312 -0.194057 0.033103 1.500000 1.721000 523 SER HG HO 0.446255 0.000000 0.000000 0.800000 0.000000 524 SER C C 0.483424 0.483424 0.074796 1.700000 1.908000 525 SER O O -0.580829 -0.580829 -0.097405 1.500000 1.661200 526 PRO N N -0.088116 -0.088116 0.496703 1.550000 1.824000 527 PRO CD CT -0.011905 0.075995 0.040086 1.700000 1.908000 528 PRO HD2 H1 0.043950 0.000000 0.000000 1.300000 1.387000 529 PRO HD3 H1 0.043950 0.000000 0.000000 1.300000 1.387000 530 PRO CG CT 0.013059 0.052207 0.163555 1.700000 1.908000 531 PRO HG2 HC 0.019574 0.000000 0.000000 1.300000 1.487000 532 PRO HG3 HC 0.019574 0.000000 0.000000 1.300000 1.487000 533 PRO CB CT -0.003351 0.035353 0.112960 1.700000 1.908000 534 PRO HB2 HC 0.019352 0.000000 0.000000 1.300000 1.487000 535 PRO HB3 HC 0.019352 0.000000 0.000000 1.300000 1.487000 536 PRO CA CT -0.034577 0.025400 0.306357 1.700000 1.908000 537 PRO HA H1 0.059977 0.000000 0.000000 1.300000 1.387000 538 PRO C C 0.333720 0.333720 -0.271454 1.700000 1.908000 539 PRO O O -0.434559 -0.434559 -0.100839 1.500000 1.661200 540 SER N N -0.541430 -0.196015 0.398022 1.550000 1.824000 541 SER H H 0.345415 0.000000 0.000000 1.300000 0.600000 542 SER CA CT 0.118140 0.260317 0.774886 1.700000 1.908000 543 SER HA H1 0.142177 0.000000 0.000000 1.300000 1.387000 544 SER CB CT 0.146998 0.227160 0.293420 1.700000 1.908000 545 SER HB2 H1 0.040081 0.000000 0.000000 1.300000 1.387000 546 SER HB3 H1 0.040081 0.000000 0.000000 1.300000 1.387000 547 SER OG OH -0.640312 -0.194057 0.033103 1.500000 1.721000 548 SER HG HO 0.446255 0.000000 0.000000 0.800000 0.000000 549 SER C C 0.483424 0.483424 0.070176 1.700000 1.908000 550 SER O O -0.580829 -0.580829 -0.097405 1.500000 1.661200 551 LEU N N -0.355153 -0.092736 0.426142 1.550000 1.824000 552 LEU H H 0.262417 0.000000 0.000000 1.300000 0.600000 553 LEU CA CT -0.101497 0.035454 0.476856 1.700000 1.908000 554 LEU HA H1 0.136951 0.000000 0.000000 1.300000 1.387000 555 LEU CB CT -0.144399 -0.039333 0.188928 1.700000 1.908000 556 LEU HB2 HC 0.052533 0.000000 0.000000 1.300000 1.487000 557 LEU HB3 HC 0.052533 0.000000 0.000000 1.300000 1.487000 558 LEU CG CT 0.191982 0.192807 0.041658 1.700000 1.908000 559 LEU HG HC 0.000825 0.000000 0.000000 1.300000 1.487000 560 LEU CD1 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 561 LEU HD11 HC 0.022376 0.000000 0.000000 1.300000 1.487000 562 LEU HD12 HC 0.022376 0.000000 0.000000 1.300000 1.487000 563 LEU HD13 HC 0.022376 0.000000 0.000000 1.300000 1.487000 564 LEU CD2 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 565 LEU HD21 HC 0.022376 0.000000 0.000000 1.300000 1.487000 566 LEU HD22 HC 0.022376 0.000000 0.000000 1.300000 1.487000 567 LEU HD23 HC 0.022376 0.000000 0.000000 1.300000 1.487000 568 LEU C C 0.573471 0.573471 -0.124485 1.700000 1.908000 569 LEU O O -0.557847 -0.557847 0.015624 1.500000 1.661200 570 ASN N N -0.430106 -0.175563 0.502118 1.550000 1.824000 571 ASN H H 0.254543 0.000000 0.000000 1.300000 0.600000 572 ASN CA CT 0.044609 0.104210 0.538780 1.700000 1.908000 573 ASN HA H1 0.059601 0.000000 0.000000 1.300000 1.387000 574 ASN CB CT -0.093650 -0.007008 0.680721 1.700000 1.908000 575 ASN HB2 HC 0.043321 0.000000 0.000000 1.300000 1.487000 576 ASN HB3 HC 0.043321 0.000000 0.000000 1.300000 1.487000 577 ASN CG C 0.583519 0.583519 -0.021879 1.700000 1.908000 578 ASN OD1 O -0.526813 -0.526813 0.056706 1.500000 1.661200 579 ASN ND2 N -0.781735 -0.071577 0.511942 1.550000 1.824000 580 ASN HD21 H 0.355079 0.000000 0.000000 1.300000 0.600000 581 ASN HD22 H 0.355079 0.000000 0.000000 1.300000 0.600000 582 ASN C C 0.617141 0.617141 0.086945 1.700000 1.908000 583 ASN O O -0.523909 -0.523909 0.093232 1.500000 1.661200 584 ALA N N -0.404773 -0.110497 0.599713 1.550000 1.824000 585 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 586 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 587 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 588 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 589 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 590 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 591 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 592 ALA C C 0.570224 0.570224 -0.002333 1.700000 1.908000 593 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 594 ALA N N -0.404773 -0.110497 0.552796 1.550000 1.824000 595 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 596 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 597 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 598 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 599 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 600 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 601 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 602 ALA C C 0.570224 0.570224 -0.076409 1.700000 1.908000 603 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 604 LYS N N -0.435875 -0.184573 0.476356 1.550000 1.824000 605 LYS H H 0.251302 0.000000 0.000000 1.300000 0.600000 606 LYS CA CT -0.038773 0.090705 0.613416 1.700000 1.908000 607 LYS HA H1 0.129478 0.000000 0.000000 1.300000 1.387000 608 LYS CB CT -0.108273 -0.017845 0.126617 1.700000 1.908000 609 LYS HB2 HC 0.045214 0.000000 0.000000 1.300000 1.487000 610 LYS HB3 HC 0.045214 0.000000 0.000000 1.300000 1.487000 611 LYS CG CT 0.033341 0.053757 0.129501 1.700000 1.908000 612 LYS HG2 HC 0.010208 0.000000 0.000000 1.300000 1.487000 613 LYS HG3 HC 0.010208 0.000000 0.000000 1.300000 1.487000 614 LYS CD CT -0.047841 0.093589 0.316416 1.700000 1.908000 615 LYS HD2 HC 0.070715 0.000000 0.000000 1.300000 1.487000 616 LYS HD3 HC 0.070715 0.000000 0.000000 1.300000 1.487000 617 LYS CE CT -0.069974 0.169070 0.895984 1.700000 1.908000 618 LYS HE2 HP 0.119522 0.000000 0.000000 1.300000 1.100000 619 LYS HE3 HP 0.119522 0.000000 0.000000 1.300000 1.100000 620 LYS NZ N3 -0.250358 0.633325 0.802395 1.550000 1.824000 621 LYS HZ1 H 0.294561 0.000000 0.000000 1.300000 0.600000 622 LYS HZ2 H 0.294561 0.000000 0.000000 1.300000 0.600000 623 LYS HZ3 H 0.294561 0.000000 0.000000 1.300000 0.600000 624 LYS C C 0.725129 0.725129 0.056662 1.700000 1.908000 625 LYS O O -0.563157 -0.563157 0.161972 1.500000 1.661200 626 SER N N -0.541430 -0.196015 0.789431 1.550000 1.824000 627 SER H H 0.345415 0.000000 0.000000 1.300000 0.600000 628 SER CA CT 0.118140 0.260317 0.774886 1.700000 1.908000 629 SER HA H1 0.142177 0.000000 0.000000 1.300000 1.387000 630 SER CB CT 0.146998 0.227160 0.293420 1.700000 1.908000 631 SER HB2 H1 0.040081 0.000000 0.000000 1.300000 1.387000 632 SER HB3 H1 0.040081 0.000000 0.000000 1.300000 1.387000 633 SER OG OH -0.640312 -0.194057 0.033103 1.500000 1.721000 634 SER HG HO 0.446255 0.000000 0.000000 0.800000 0.000000 635 SER C C 0.483424 0.483424 0.046331 1.700000 1.908000 636 SER O O -0.580829 -0.580829 -0.097405 1.500000 1.661200 637 GLU N N -0.423392 -0.116581 0.463576 1.550000 1.824000 638 GLU H H 0.306811 0.000000 0.000000 1.300000 0.600000 639 GLU CA CT 0.031633 0.096733 0.517589 1.700000 1.908000 640 GLU HA H1 0.065100 0.000000 0.000000 1.300000 1.387000 641 GLU CB CT 0.074772 0.067702 0.122256 1.700000 1.908000 642 GLU HB2 HC -0.003535 0.000000 0.000000 1.300000 1.487000 643 GLU HB3 HC -0.003535 0.000000 0.000000 1.300000 1.487000 644 GLU CG CT -0.033909 -0.042179 0.790711 1.700000 1.908000 645 GLU HG2 HC -0.004135 0.000000 0.000000 1.300000 1.487000 646 GLU HG3 HC -0.004135 0.000000 0.000000 1.300000 1.487000 647 GLU CD C 0.765188 0.765188 -0.925061 1.700000 1.908000 648 GLU OE1 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 649 GLU OE2 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 650 GLU C C 0.469735 0.469735 -0.118796 1.700000 1.908000 651 GLU O O -0.592528 -0.592528 -0.122793 1.500000 1.661200 652 LEU N N -0.355153 -0.092736 0.412453 1.550000 1.824000 653 LEU H H 0.262417 0.000000 0.000000 1.300000 0.600000 654 LEU CA CT -0.101497 0.035454 0.476856 1.700000 1.908000 655 LEU HA H1 0.136951 0.000000 0.000000 1.300000 1.387000 656 LEU CB CT -0.144399 -0.039333 0.188928 1.700000 1.908000 657 LEU HB2 HC 0.052533 0.000000 0.000000 1.300000 1.487000 658 LEU HB3 HC 0.052533 0.000000 0.000000 1.300000 1.487000 659 LEU CG CT 0.191982 0.192807 0.041658 1.700000 1.908000 660 LEU HG HC 0.000825 0.000000 0.000000 1.300000 1.487000 661 LEU CD1 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 662 LEU HD11 HC 0.022376 0.000000 0.000000 1.300000 1.487000 663 LEU HD12 HC 0.022376 0.000000 0.000000 1.300000 1.487000 664 LEU HD13 HC 0.022376 0.000000 0.000000 1.300000 1.487000 665 LEU CD2 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 666 LEU HD21 HC 0.022376 0.000000 0.000000 1.300000 1.487000 667 LEU HD22 HC 0.022376 0.000000 0.000000 1.300000 1.487000 668 LEU HD23 HC 0.022376 0.000000 0.000000 1.300000 1.487000 669 LEU C C 0.573471 0.573471 -0.187447 1.700000 1.908000 670 LEU O O -0.557847 -0.557847 0.015624 1.500000 1.661200 671 ASP N N -0.558201 -0.238525 0.424546 1.550000 1.824000 672 ASP H H 0.319676 0.000000 0.000000 1.300000 0.600000 673 ASP CA CT 0.007225 0.089600 0.217047 1.700000 1.908000 674 ASP HA H1 0.082375 0.000000 0.000000 1.300000 1.387000 675 ASP CB CT -0.047555 -0.077227 0.757541 1.700000 1.908000 676 ASP HB2 HC -0.014836 0.000000 0.000000 1.300000 1.487000 677 ASP HB3 HC -0.014836 0.000000 0.000000 1.300000 1.487000 678 ASP CG C 0.745168 0.745168 -0.792829 1.700000 1.908000 679 ASP OD1 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 680 ASP OD2 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 681 ASP C C 0.443199 0.443199 -0.153219 1.700000 1.908000 682 ASP O O -0.501445 -0.501445 -0.058246 1.500000 1.661200 683 LYS N N -0.435875 -0.184573 0.349331 1.550000 1.824000 684 LYS H H 0.251302 0.000000 0.000000 1.300000 0.600000 685 LYS CA CT -0.038773 0.090705 0.613416 1.700000 1.908000 686 LYS HA H1 0.129478 0.000000 0.000000 1.300000 1.387000 687 LYS CB CT -0.108273 -0.017845 0.126617 1.700000 1.908000 688 LYS HB2 HC 0.045214 0.000000 0.000000 1.300000 1.487000 689 LYS HB3 HC 0.045214 0.000000 0.000000 1.300000 1.487000 690 LYS CG CT 0.033341 0.053757 0.129501 1.700000 1.908000 691 LYS HG2 HC 0.010208 0.000000 0.000000 1.300000 1.487000 692 LYS HG3 HC 0.010208 0.000000 0.000000 1.300000 1.487000 693 LYS CD CT -0.047841 0.093589 0.316416 1.700000 1.908000 694 LYS HD2 HC 0.070715 0.000000 0.000000 1.300000 1.487000 695 LYS HD3 HC 0.070715 0.000000 0.000000 1.300000 1.487000 696 LYS CE CT -0.069974 0.169070 0.895984 1.700000 1.908000 697 LYS HE2 HP 0.119522 0.000000 0.000000 1.300000 1.100000 698 LYS HE3 HP 0.119522 0.000000 0.000000 1.300000 1.100000 699 LYS NZ N3 -0.250358 0.633325 0.802395 1.550000 1.824000 700 LYS HZ1 H 0.294561 0.000000 0.000000 1.300000 0.600000 701 LYS HZ2 H 0.294561 0.000000 0.000000 1.300000 0.600000 702 LYS HZ3 H 0.294561 0.000000 0.000000 1.300000 0.600000 703 LYS C C 0.725129 0.725129 0.142180 1.700000 1.908000 704 LYS O O -0.563157 -0.563157 0.161972 1.500000 1.661200 705 ALA N N -0.404773 -0.110497 0.707701 1.550000 1.824000 706 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 707 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 708 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 709 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 710 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 711 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 712 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 713 ALA C C 0.570224 0.570224 -0.014052 1.700000 1.908000 714 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 715 ILE N N -0.451047 -0.122216 0.520327 1.550000 1.824000 716 ILE H H 0.328831 0.000000 0.000000 1.300000 0.600000 717 ILE CA CT -0.101874 0.072319 0.643386 1.700000 1.908000 718 ILE HA H1 0.174193 0.000000 0.000000 1.300000 1.387000 719 ILE CB CT 0.062238 0.123900 0.202243 1.700000 1.908000 720 ILE HB HC 0.061662 0.000000 0.000000 1.300000 1.487000 721 ILE CG2 CT -0.129989 -0.039308 0.084592 1.700000 1.908000 722 ILE HG21 HC 0.030227 0.000000 0.000000 1.300000 1.487000 723 ILE HG22 HC 0.030227 0.000000 0.000000 1.300000 1.487000 724 ILE HG23 HC 0.030227 0.000000 0.000000 1.300000 1.487000 725 ILE CG1 CT 0.022230 0.045332 0.139357 1.700000 1.908000 726 ILE HG12 HC 0.011551 0.000000 0.000000 1.300000 1.487000 727 ILE HG13 HC 0.011551 0.000000 0.000000 1.300000 1.487000 728 ILE CD1 CT -0.101251 -0.029875 0.015457 1.700000 1.908000 729 ILE HD11 HC 0.023792 0.000000 0.000000 1.300000 1.487000 730 ILE HD12 HC 0.023792 0.000000 0.000000 1.300000 1.487000 731 ILE HD13 HC 0.023792 0.000000 0.000000 1.300000 1.487000 732 ILE C C 0.569383 0.569383 -0.098134 1.700000 1.908000 733 ILE O O -0.619535 -0.619535 -0.050152 1.500000 1.661200 734 GLY N N -0.374282 -0.120301 0.497956 1.550000 1.824000 735 GLY H H 0.253981 0.000000 0.000000 1.300000 0.600000 736 GLY CA CT -0.128844 0.048874 0.509157 1.700000 1.908000 737 GLY HA2 H0 0.088859 0.000000 0.000000 1.300000 1.387000 738 GLY HA3 H0 0.088859 0.000000 0.000000 1.300000 1.387000 739 GLY C C 0.580584 0.580584 0.053115 1.700000 1.908000 740 GLY O O -0.509157 -0.509157 0.071427 1.500000 1.661200 741 ARG N N -0.300879 -0.067186 0.435283 1.550000 1.824000 742 ARG H H 0.233693 0.000000 0.000000 1.300000 0.600000 743 ARG CA CT -0.131381 -0.078115 0.677738 1.700000 1.908000 744 ARG HA H1 0.053266 0.000000 0.000000 1.300000 1.387000 745 ARG CB CT 0.036707 0.092731 0.032998 1.700000 1.908000 746 ARG HB2 HC 0.028012 0.000000 0.000000 1.300000 1.487000 747 ARG HB3 HC 0.028012 0.000000 0.000000 1.300000 1.487000 748 ARG CG CT 0.012454 0.018382 0.373738 1.700000 1.908000 749 ARG HG2 HC 0.002964 0.000000 0.000000 1.300000 1.487000 750 ARG HG3 HC 0.002964 0.000000 0.000000 1.300000 1.487000 751 ARG CD CT 0.126329 0.262625 0.142391 1.700000 1.908000 752 ARG HD2 H1 0.068148 0.000000 0.000000 1.300000 1.387000 753 ARG HD3 H1 0.068148 0.000000 0.000000 1.300000 1.387000 754 ARG NE N2 -0.464890 -0.138616 0.689552 1.550000 1.824000 755 ARG HE H 0.326274 0.000000 0.000000 1.300000 0.600000 756 ARG CZ CA 0.565543 0.565543 0.619587 1.700000 1.908000 757 ARG NH1 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 758 ARG HH11 H 0.391052 0.000000 0.000000 1.300000 0.600000 759 ARG HH12 H 0.391052 0.000000 0.000000 1.300000 0.600000 760 ARG NH2 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 761 ARG HH21 H 0.391052 0.000000 0.000000 1.300000 0.600000 762 ARG HH22 H 0.391052 0.000000 0.000000 1.300000 0.600000 763 ARG C C 0.730308 0.730308 -0.101702 1.700000 1.908000 764 ARG O O -0.578332 -0.578332 0.151976 1.500000 1.661200 765 ASN N N -0.430106 -0.175563 0.658955 1.550000 1.824000 766 ASN H H 0.254543 0.000000 0.000000 1.300000 0.600000 767 ASN CA CT 0.044609 0.104210 0.538780 1.700000 1.908000 768 ASN HA H1 0.059601 0.000000 0.000000 1.300000 1.387000 769 ASN CB CT -0.093650 -0.007008 0.680721 1.700000 1.908000 770 ASN HB2 HC 0.043321 0.000000 0.000000 1.300000 1.487000 771 ASN HB3 HC 0.043321 0.000000 0.000000 1.300000 1.487000 772 ASN CG C 0.583519 0.583519 -0.021879 1.700000 1.908000 773 ASN OD1 O -0.526813 -0.526813 0.056706 1.500000 1.661200 774 ASN ND2 N -0.781735 -0.071577 0.511942 1.550000 1.824000 775 ASN HD21 H 0.355079 0.000000 0.000000 1.300000 0.600000 776 ASN HD22 H 0.355079 0.000000 0.000000 1.300000 0.600000 777 ASN C C 0.617141 0.617141 0.021879 1.700000 1.908000 778 ASN O O -0.523909 -0.523909 0.093232 1.500000 1.661200 779 ASN N N -0.430106 -0.175563 0.545788 1.550000 1.824000 780 ASN H H 0.254543 0.000000 0.000000 1.300000 0.600000 781 ASN CA CT 0.044609 0.104210 0.538780 1.700000 1.908000 782 ASN HA H1 0.059601 0.000000 0.000000 1.300000 1.387000 783 ASN CB CT -0.093650 -0.007008 0.680721 1.700000 1.908000 784 ASN HB2 HC 0.043321 0.000000 0.000000 1.300000 1.487000 785 ASN HB3 HC 0.043321 0.000000 0.000000 1.300000 1.487000 786 ASN CG C 0.583519 0.583519 -0.021879 1.700000 1.908000 787 ASN OD1 O -0.526813 -0.526813 0.056706 1.500000 1.661200 788 ASN ND2 N -0.781735 -0.071577 0.511942 1.550000 1.824000 789 ASN HD21 H 0.355079 0.000000 0.000000 1.300000 0.600000 790 ASN HD22 H 0.355079 0.000000 0.000000 1.300000 0.600000 791 ASN C C 0.617141 0.617141 0.077141 1.700000 1.908000 792 ASN O O -0.523909 -0.523909 0.093232 1.500000 1.661200 793 GLY N N -0.374282 -0.120301 0.545714 1.550000 1.824000 794 GLY H H 0.253981 0.000000 0.000000 1.300000 0.600000 795 GLY CA CT -0.128844 0.048874 0.509157 1.700000 1.908000 796 GLY HA2 H0 0.088859 0.000000 0.000000 1.300000 1.387000 797 GLY HA3 H0 0.088859 0.000000 0.000000 1.300000 1.387000 798 GLY C C 0.580584 0.580584 0.110262 1.700000 1.908000 799 GLY O O -0.509157 -0.509157 0.071427 1.500000 1.661200 800 VAL N N -0.450087 -0.010039 0.492483 1.550000 1.824000 801 VAL H H 0.440048 0.000000 0.000000 1.300000 0.600000 802 VAL CA CT -0.051858 -0.078062 0.638803 1.700000 1.908000 803 VAL HA H1 -0.026204 0.000000 0.000000 1.300000 1.387000 804 VAL CB CT 0.395217 0.279545 -0.032691 1.700000 1.908000 805 VAL HB HC -0.115672 0.000000 0.000000 1.300000 1.487000 806 VAL CG1 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 807 VAL HG11 HC -0.008985 0.000000 0.000000 1.300000 1.487000 808 VAL HG12 HC -0.008985 0.000000 0.000000 1.300000 1.487000 809 VAL HG13 HC -0.008985 0.000000 0.000000 1.300000 1.487000 810 VAL CG2 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 811 VAL HG21 HC -0.008985 0.000000 0.000000 1.300000 1.487000 812 VAL HG22 HC -0.008985 0.000000 0.000000 1.300000 1.487000 813 VAL HG23 HC -0.008985 0.000000 0.000000 1.300000 1.487000 814 VAL C C 0.447359 0.447359 -0.157548 1.700000 1.908000 815 VAL O O -0.404629 -0.404629 0.042730 1.500000 1.661200 816 ILE N N -0.451047 -0.122216 0.397462 1.550000 1.824000 817 ILE H H 0.328831 0.000000 0.000000 1.300000 0.600000 818 ILE CA CT -0.101874 0.072319 0.643386 1.700000 1.908000 819 ILE HA H1 0.174193 0.000000 0.000000 1.300000 1.387000 820 ILE CB CT 0.062238 0.123900 0.202243 1.700000 1.908000 821 ILE HB HC 0.061662 0.000000 0.000000 1.300000 1.487000 822 ILE CG2 CT -0.129989 -0.039308 0.084592 1.700000 1.908000 823 ILE HG21 HC 0.030227 0.000000 0.000000 1.300000 1.487000 824 ILE HG22 HC 0.030227 0.000000 0.000000 1.300000 1.487000 825 ILE HG23 HC 0.030227 0.000000 0.000000 1.300000 1.487000 826 ILE CG1 CT 0.022230 0.045332 0.139357 1.700000 1.908000 827 ILE HG12 HC 0.011551 0.000000 0.000000 1.300000 1.487000 828 ILE HG13 HC 0.011551 0.000000 0.000000 1.300000 1.487000 829 ILE CD1 CT -0.101251 -0.029875 0.015457 1.700000 1.908000 830 ILE HD11 HC 0.023792 0.000000 0.000000 1.300000 1.487000 831 ILE HD12 HC 0.023792 0.000000 0.000000 1.300000 1.487000 832 ILE HD13 HC 0.023792 0.000000 0.000000 1.300000 1.487000 833 ILE C C 0.569383 0.569383 -0.162406 1.700000 1.908000 834 ILE O O -0.619535 -0.619535 -0.050152 1.500000 1.661200 835 LYS N N -0.435875 -0.184573 0.475515 1.550000 1.824000 836 LYS H H 0.251302 0.000000 0.000000 1.300000 0.600000 837 LYS CA CT -0.038773 0.090705 0.613416 1.700000 1.908000 838 LYS HA H1 0.129478 0.000000 0.000000 1.300000 1.387000 839 LYS CB CT -0.108273 -0.017845 0.126617 1.700000 1.908000 840 LYS HB2 HC 0.045214 0.000000 0.000000 1.300000 1.487000 841 LYS HB3 HC 0.045214 0.000000 0.000000 1.300000 1.487000 842 LYS CG CT 0.033341 0.053757 0.129501 1.700000 1.908000 843 LYS HG2 HC 0.010208 0.000000 0.000000 1.300000 1.487000 844 LYS HG3 HC 0.010208 0.000000 0.000000 1.300000 1.487000 845 LYS CD CT -0.047841 0.093589 0.316416 1.700000 1.908000 846 LYS HD2 HC 0.070715 0.000000 0.000000 1.300000 1.487000 847 LYS HD3 HC 0.070715 0.000000 0.000000 1.300000 1.487000 848 LYS CE CT -0.069974 0.169070 0.895984 1.700000 1.908000 849 LYS HE2 HP 0.119522 0.000000 0.000000 1.300000 1.100000 850 LYS HE3 HP 0.119522 0.000000 0.000000 1.300000 1.100000 851 LYS NZ N3 -0.250358 0.633325 0.802395 1.550000 1.824000 852 LYS HZ1 H 0.294561 0.000000 0.000000 1.300000 0.600000 853 LYS HZ2 H 0.294561 0.000000 0.000000 1.300000 0.600000 854 LYS HZ3 H 0.294561 0.000000 0.000000 1.300000 0.600000 855 LYS C C 0.725129 0.725129 0.014152 1.700000 1.908000 856 LYS O O -0.563157 -0.563157 0.161972 1.500000 1.661200 857 ASP N N -0.558201 -0.238525 0.576204 1.550000 1.824000 858 ASP H H 0.319676 0.000000 0.000000 1.300000 0.600000 859 ASP CA CT 0.007225 0.089600 0.217047 1.700000 1.908000 860 ASP HA H1 0.082375 0.000000 0.000000 1.300000 1.387000 861 ASP CB CT -0.047555 -0.077227 0.757541 1.700000 1.908000 862 ASP HB2 HC -0.014836 0.000000 0.000000 1.300000 1.487000 863 ASP HB3 HC -0.014836 0.000000 0.000000 1.300000 1.487000 864 ASP CG C 0.745168 0.745168 -0.792829 1.700000 1.908000 865 ASP OD1 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 866 ASP OD2 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 867 ASP C C 0.443199 0.443199 -0.085227 1.700000 1.908000 868 ASP O O -0.501445 -0.501445 -0.058246 1.500000 1.661200 869 GLU N N -0.423392 -0.116581 0.423351 1.550000 1.824000 870 GLU H H 0.306811 0.000000 0.000000 1.300000 0.600000 871 GLU CA CT 0.031633 0.096733 0.517589 1.700000 1.908000 872 GLU HA H1 0.065100 0.000000 0.000000 1.300000 1.387000 873 GLU CB CT 0.074772 0.067702 0.122256 1.700000 1.908000 874 GLU HB2 HC -0.003535 0.000000 0.000000 1.300000 1.487000 875 GLU HB3 HC -0.003535 0.000000 0.000000 1.300000 1.487000 876 GLU CG CT -0.033909 -0.042179 0.790711 1.700000 1.908000 877 GLU HG2 HC -0.004135 0.000000 0.000000 1.300000 1.487000 878 GLU HG3 HC -0.004135 0.000000 0.000000 1.300000 1.487000 879 GLU CD C 0.765188 0.765188 -0.925061 1.700000 1.908000 880 GLU OE1 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 881 GLU OE2 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 882 GLU C C 0.469735 0.469735 -0.136557 1.700000 1.908000 883 GLU O O -0.592528 -0.592528 -0.122793 1.500000 1.661200 884 ALA N N -0.404773 -0.110497 0.452307 1.550000 1.824000 885 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 886 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 887 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 888 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 889 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 890 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 891 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 892 ALA C C 0.570224 0.570224 -0.008417 1.700000 1.908000 893 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 894 GLU N N -0.423392 -0.116581 0.550376 1.550000 1.824000 895 GLU H H 0.306811 0.000000 0.000000 1.300000 0.600000 896 GLU CA CT 0.031633 0.096733 0.517589 1.700000 1.908000 897 GLU HA H1 0.065100 0.000000 0.000000 1.300000 1.387000 898 GLU CB CT 0.074772 0.067702 0.122256 1.700000 1.908000 899 GLU HB2 HC -0.003535 0.000000 0.000000 1.300000 1.487000 900 GLU HB3 HC -0.003535 0.000000 0.000000 1.300000 1.487000 901 GLU CG CT -0.033909 -0.042179 0.790711 1.700000 1.908000 902 GLU HG2 HC -0.004135 0.000000 0.000000 1.300000 1.487000 903 GLU HG3 HC -0.004135 0.000000 0.000000 1.300000 1.487000 904 GLU CD C 0.765188 0.765188 -0.925061 1.700000 1.908000 905 GLU OE1 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 906 GLU OE2 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 907 GLU C C 0.469735 0.469735 -0.210633 1.700000 1.908000 908 GLU O O -0.592528 -0.592528 -0.122793 1.500000 1.661200 909 LYS N N -0.435875 -0.184573 0.375867 1.550000 1.824000 910 LYS H H 0.251302 0.000000 0.000000 1.300000 0.600000 911 LYS CA CT -0.038773 0.090705 0.613416 1.700000 1.908000 912 LYS HA H1 0.129478 0.000000 0.000000 1.300000 1.387000 913 LYS CB CT -0.108273 -0.017845 0.126617 1.700000 1.908000 914 LYS HB2 HC 0.045214 0.000000 0.000000 1.300000 1.487000 915 LYS HB3 HC 0.045214 0.000000 0.000000 1.300000 1.487000 916 LYS CG CT 0.033341 0.053757 0.129501 1.700000 1.908000 917 LYS HG2 HC 0.010208 0.000000 0.000000 1.300000 1.487000 918 LYS HG3 HC 0.010208 0.000000 0.000000 1.300000 1.487000 919 LYS CD CT -0.047841 0.093589 0.316416 1.700000 1.908000 920 LYS HD2 HC 0.070715 0.000000 0.000000 1.300000 1.487000 921 LYS HD3 HC 0.070715 0.000000 0.000000 1.300000 1.487000 922 LYS CE CT -0.069974 0.169070 0.895984 1.700000 1.908000 923 LYS HE2 HP 0.119522 0.000000 0.000000 1.300000 1.100000 924 LYS HE3 HP 0.119522 0.000000 0.000000 1.300000 1.100000 925 LYS NZ N3 -0.250358 0.633325 0.802395 1.550000 1.824000 926 LYS HZ1 H 0.294561 0.000000 0.000000 1.300000 0.600000 927 LYS HZ2 H 0.294561 0.000000 0.000000 1.300000 0.600000 928 LYS HZ3 H 0.294561 0.000000 0.000000 1.300000 0.600000 929 LYS C C 0.725129 0.725129 0.159941 1.700000 1.908000 930 LYS O O -0.563157 -0.563157 0.161972 1.500000 1.661200 931 LEU N N -0.355153 -0.092736 0.667847 1.550000 1.824000 932 LEU H H 0.262417 0.000000 0.000000 1.300000 0.600000 933 LEU CA CT -0.101497 0.035454 0.476856 1.700000 1.908000 934 LEU HA H1 0.136951 0.000000 0.000000 1.300000 1.387000 935 LEU CB CT -0.144399 -0.039333 0.188928 1.700000 1.908000 936 LEU HB2 HC 0.052533 0.000000 0.000000 1.300000 1.487000 937 LEU HB3 HC 0.052533 0.000000 0.000000 1.300000 1.487000 938 LEU CG CT 0.191982 0.192807 0.041658 1.700000 1.908000 939 LEU HG HC 0.000825 0.000000 0.000000 1.300000 1.487000 940 LEU CD1 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 941 LEU HD11 HC 0.022376 0.000000 0.000000 1.300000 1.487000 942 LEU HD12 HC 0.022376 0.000000 0.000000 1.300000 1.487000 943 LEU HD13 HC 0.022376 0.000000 0.000000 1.300000 1.487000 944 LEU CD2 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 945 LEU HD21 HC 0.022376 0.000000 0.000000 1.300000 1.487000 946 LEU HD22 HC 0.022376 0.000000 0.000000 1.300000 1.487000 947 LEU HD23 HC 0.022376 0.000000 0.000000 1.300000 1.487000 948 LEU C C 0.573471 0.573471 -0.124485 1.700000 1.908000 949 LEU O O -0.557847 -0.557847 0.015624 1.500000 1.661200 950 ASN N N -0.430106 -0.175563 0.502118 1.550000 1.824000 951 ASN H H 0.254543 0.000000 0.000000 1.300000 0.600000 952 ASN CA CT 0.044609 0.104210 0.538780 1.700000 1.908000 953 ASN HA H1 0.059601 0.000000 0.000000 1.300000 1.387000 954 ASN CB CT -0.093650 -0.007008 0.680721 1.700000 1.908000 955 ASN HB2 HC 0.043321 0.000000 0.000000 1.300000 1.487000 956 ASN HB3 HC 0.043321 0.000000 0.000000 1.300000 1.487000 957 ASN CG C 0.583519 0.583519 -0.021879 1.700000 1.908000 958 ASN OD1 O -0.526813 -0.526813 0.056706 1.500000 1.661200 959 ASN ND2 N -0.781735 -0.071577 0.511942 1.550000 1.824000 960 ASN HD21 H 0.355079 0.000000 0.000000 1.300000 0.600000 961 ASN HD22 H 0.355079 0.000000 0.000000 1.300000 0.600000 962 ASN C C 0.617141 0.617141 0.110694 1.700000 1.908000 963 ASN O O -0.523909 -0.523909 0.093232 1.500000 1.661200 964 GLN N N -0.387353 -0.086748 0.720118 1.550000 1.824000 965 GLN H H 0.300605 0.000000 0.000000 1.300000 0.600000 966 GLN CA CT 0.037470 0.189725 0.551432 1.700000 1.908000 967 GLN HA H1 0.152255 0.000000 0.000000 1.300000 1.387000 968 GLN CB CT -0.032112 0.029878 0.260921 1.700000 1.908000 969 GLN HB2 HC 0.030995 0.000000 0.000000 1.300000 1.487000 970 GLN HB3 HC 0.030995 0.000000 0.000000 1.300000 1.487000 971 GLN CG CT -0.020264 0.041318 0.739008 1.700000 1.908000 972 GLN HG2 HC 0.030791 0.000000 0.000000 1.300000 1.487000 973 GLN HG3 HC 0.030791 0.000000 0.000000 1.300000 1.487000 974 GLN CD C 0.667812 0.667812 0.013878 1.700000 1.908000 975 GLN OE1 O -0.628483 -0.628483 0.039329 1.500000 1.661200 976 GLN NE2 N -0.883393 -0.066769 0.601043 1.550000 1.824000 977 GLN HE21 H 0.408312 0.000000 0.000000 1.300000 0.600000 978 GLN HE22 H 0.408312 0.000000 0.000000 1.300000 0.600000 979 GLN C C 0.418577 0.418577 -0.195533 1.700000 1.908000 980 GLN O O -0.565310 -0.565310 -0.146733 1.500000 1.661200 981 ASP N N -0.558201 -0.238525 0.269652 1.550000 1.824000 982 ASP H H 0.319676 0.000000 0.000000 1.300000 0.600000 983 ASP CA CT 0.007225 0.089600 0.217047 1.700000 1.908000 984 ASP HA H1 0.082375 0.000000 0.000000 1.300000 1.387000 985 ASP CB CT -0.047555 -0.077227 0.757541 1.700000 1.908000 986 ASP HB2 HC -0.014836 0.000000 0.000000 1.300000 1.487000 987 ASP HB3 HC -0.014836 0.000000 0.000000 1.300000 1.487000 988 ASP CG C 0.745168 0.745168 -0.792829 1.700000 1.908000 989 ASP OD1 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 990 ASP OD2 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 991 ASP C C 0.443199 0.443199 0.021315 1.700000 1.908000 992 ASP O O -0.501445 -0.501445 -0.058246 1.500000 1.661200 993 VAL N N -0.450087 -0.010039 0.355098 1.550000 1.824000 994 VAL H H 0.440048 0.000000 0.000000 1.300000 0.600000 995 VAL CA CT -0.051858 -0.078062 0.638803 1.700000 1.908000 996 VAL HA H1 -0.026204 0.000000 0.000000 1.300000 1.387000 997 VAL CB CT 0.395217 0.279545 -0.032691 1.700000 1.908000 998 VAL HB HC -0.115672 0.000000 0.000000 1.300000 1.487000 999 VAL CG1 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 1000 VAL HG11 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1001 VAL HG12 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1002 VAL HG13 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1003 VAL CG2 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 1004 VAL HG21 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1005 VAL HG22 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1006 VAL HG23 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1007 VAL C C 0.447359 0.447359 -0.273857 1.700000 1.908000 1008 VAL O O -0.404629 -0.404629 0.042730 1.500000 1.661200 1009 ASP N N -0.558201 -0.238525 0.298434 1.550000 1.824000 1010 ASP H H 0.319676 0.000000 0.000000 1.300000 0.600000 1011 ASP CA CT 0.007225 0.089600 0.217047 1.700000 1.908000 1012 ASP HA H1 0.082375 0.000000 0.000000 1.300000 1.387000 1013 ASP CB CT -0.047555 -0.077227 0.757541 1.700000 1.908000 1014 ASP HB2 HC -0.014836 0.000000 0.000000 1.300000 1.487000 1015 ASP HB3 HC -0.014836 0.000000 0.000000 1.300000 1.487000 1016 ASP CG C 0.745168 0.745168 -0.792829 1.700000 1.908000 1017 ASP OD1 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 1018 ASP OD2 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 1019 ASP C C 0.443199 0.443199 -0.079143 1.700000 1.908000 1020 ASP O O -0.501445 -0.501445 -0.058246 1.500000 1.661200 1021 ALA N N -0.404773 -0.110497 0.425771 1.550000 1.824000 1022 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 1023 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 1024 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 1025 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 1026 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1027 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1028 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1029 ALA C C 0.570224 0.570224 -0.002333 1.700000 1.908000 1030 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 1031 ALA N N -0.404773 -0.110497 0.552796 1.550000 1.824000 1032 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 1033 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 1034 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 1035 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 1036 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1037 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1038 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1039 ALA C C 0.570224 0.570224 0.098125 1.700000 1.908000 1040 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 1041 VAL N N -0.450087 -0.010039 0.482123 1.550000 1.824000 1042 VAL H H 0.440048 0.000000 0.000000 1.300000 0.600000 1043 VAL CA CT -0.051858 -0.078062 0.638803 1.700000 1.908000 1044 VAL HA H1 -0.026204 0.000000 0.000000 1.300000 1.387000 1045 VAL CB CT 0.395217 0.279545 -0.032691 1.700000 1.908000 1046 VAL HB HC -0.115672 0.000000 0.000000 1.300000 1.487000 1047 VAL CG1 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 1048 VAL HG11 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1049 VAL HG12 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1050 VAL HG13 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1051 VAL CG2 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 1052 VAL HG21 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1053 VAL HG22 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1054 VAL HG23 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1055 VAL C C 0.447359 0.447359 -0.102518 1.700000 1.908000 1056 VAL O O -0.404629 -0.404629 0.042730 1.500000 1.661200 1057 ARG N N -0.300879 -0.067186 0.302058 1.550000 1.824000 1058 ARG H H 0.233693 0.000000 0.000000 1.300000 0.600000 1059 ARG CA CT -0.131381 -0.078115 0.677738 1.700000 1.908000 1060 ARG HA H1 0.053266 0.000000 0.000000 1.300000 1.387000 1061 ARG CB CT 0.036707 0.092731 0.032998 1.700000 1.908000 1062 ARG HB2 HC 0.028012 0.000000 0.000000 1.300000 1.487000 1063 ARG HB3 HC 0.028012 0.000000 0.000000 1.300000 1.487000 1064 ARG CG CT 0.012454 0.018382 0.373738 1.700000 1.908000 1065 ARG HG2 HC 0.002964 0.000000 0.000000 1.300000 1.487000 1066 ARG HG3 HC 0.002964 0.000000 0.000000 1.300000 1.487000 1067 ARG CD CT 0.126329 0.262625 0.142391 1.700000 1.908000 1068 ARG HD2 H1 0.068148 0.000000 0.000000 1.300000 1.387000 1069 ARG HD3 H1 0.068148 0.000000 0.000000 1.300000 1.387000 1070 ARG NE N2 -0.464890 -0.138616 0.689552 1.550000 1.824000 1071 ARG HE H 0.326274 0.000000 0.000000 1.300000 0.600000 1072 ARG CZ CA 0.565543 0.565543 0.619587 1.700000 1.908000 1073 ARG NH1 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 1074 ARG HH11 H 0.391052 0.000000 0.000000 1.300000 0.600000 1075 ARG HH12 H 0.391052 0.000000 0.000000 1.300000 0.600000 1076 ARG NH2 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 1077 ARG HH21 H 0.391052 0.000000 0.000000 1.300000 0.600000 1078 ARG HH22 H 0.391052 0.000000 0.000000 1.300000 0.600000 1079 ARG C C 0.730308 0.730308 -0.046440 1.700000 1.908000 1080 ARG O O -0.578332 -0.578332 0.151976 1.500000 1.661200 1081 GLY N N -0.374282 -0.120301 0.658881 1.550000 1.824000 1082 GLY H H 0.253981 0.000000 0.000000 1.300000 0.600000 1083 GLY CA CT -0.128844 0.048874 0.509157 1.700000 1.908000 1084 GLY HA2 H0 0.088859 0.000000 0.000000 1.300000 1.387000 1085 GLY HA3 H0 0.088859 0.000000 0.000000 1.300000 1.387000 1086 GLY C C 0.580584 0.580584 -0.001915 1.700000 1.908000 1087 GLY O O -0.509157 -0.509157 0.071427 1.500000 1.661200 1088 ILE N N -0.451047 -0.122216 0.530687 1.550000 1.824000 1089 ILE H H 0.328831 0.000000 0.000000 1.300000 0.600000 1090 ILE CA CT -0.101874 0.072319 0.643386 1.700000 1.908000 1091 ILE HA H1 0.174193 0.000000 0.000000 1.300000 1.387000 1092 ILE CB CT 0.062238 0.123900 0.202243 1.700000 1.908000 1093 ILE HB HC 0.061662 0.000000 0.000000 1.300000 1.487000 1094 ILE CG2 CT -0.129989 -0.039308 0.084592 1.700000 1.908000 1095 ILE HG21 HC 0.030227 0.000000 0.000000 1.300000 1.487000 1096 ILE HG22 HC 0.030227 0.000000 0.000000 1.300000 1.487000 1097 ILE HG23 HC 0.030227 0.000000 0.000000 1.300000 1.487000 1098 ILE CG1 CT 0.022230 0.045332 0.139357 1.700000 1.908000 1099 ILE HG12 HC 0.011551 0.000000 0.000000 1.300000 1.487000 1100 ILE HG13 HC 0.011551 0.000000 0.000000 1.300000 1.487000 1101 ILE CD1 CT -0.101251 -0.029875 0.015457 1.700000 1.908000 1102 ILE HD11 HC 0.023792 0.000000 0.000000 1.300000 1.487000 1103 ILE HD12 HC 0.023792 0.000000 0.000000 1.300000 1.487000 1104 ILE HD13 HC 0.023792 0.000000 0.000000 1.300000 1.487000 1105 ILE C C 0.569383 0.569383 -0.070569 1.700000 1.908000 1106 ILE O O -0.619535 -0.619535 -0.050152 1.500000 1.661200 1107 LEU N N -0.355153 -0.092736 0.512101 1.550000 1.824000 1108 LEU H H 0.262417 0.000000 0.000000 1.300000 0.600000 1109 LEU CA CT -0.101497 0.035454 0.476856 1.700000 1.908000 1110 LEU HA H1 0.136951 0.000000 0.000000 1.300000 1.387000 1111 LEU CB CT -0.144399 -0.039333 0.188928 1.700000 1.908000 1112 LEU HB2 HC 0.052533 0.000000 0.000000 1.300000 1.487000 1113 LEU HB3 HC 0.052533 0.000000 0.000000 1.300000 1.487000 1114 LEU CG CT 0.191982 0.192807 0.041658 1.700000 1.908000 1115 LEU HG HC 0.000825 0.000000 0.000000 1.300000 1.487000 1116 LEU CD1 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 1117 LEU HD11 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1118 LEU HD12 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1119 LEU HD13 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1120 LEU CD2 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 1121 LEU HD21 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1122 LEU HD22 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1123 LEU HD23 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1124 LEU C C 0.573471 0.573471 -0.016108 1.700000 1.908000 1125 LEU O O -0.557847 -0.557847 0.015624 1.500000 1.661200 1126 ARG N N -0.300879 -0.067186 0.428170 1.550000 1.824000 1127 ARG H H 0.233693 0.000000 0.000000 1.300000 0.600000 1128 ARG CA CT -0.131381 -0.078115 0.677738 1.700000 1.908000 1129 ARG HA H1 0.053266 0.000000 0.000000 1.300000 1.387000 1130 ARG CB CT 0.036707 0.092731 0.032998 1.700000 1.908000 1131 ARG HB2 HC 0.028012 0.000000 0.000000 1.300000 1.487000 1132 ARG HB3 HC 0.028012 0.000000 0.000000 1.300000 1.487000 1133 ARG CG CT 0.012454 0.018382 0.373738 1.700000 1.908000 1134 ARG HG2 HC 0.002964 0.000000 0.000000 1.300000 1.487000 1135 ARG HG3 HC 0.002964 0.000000 0.000000 1.300000 1.487000 1136 ARG CD CT 0.126329 0.262625 0.142391 1.700000 1.908000 1137 ARG HD2 H1 0.068148 0.000000 0.000000 1.300000 1.387000 1138 ARG HD3 H1 0.068148 0.000000 0.000000 1.300000 1.387000 1139 ARG NE N2 -0.464890 -0.138616 0.689552 1.550000 1.824000 1140 ARG HE H 0.326274 0.000000 0.000000 1.300000 0.600000 1141 ARG CZ CA 0.565543 0.565543 0.619587 1.700000 1.908000 1142 ARG NH1 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 1143 ARG HH11 H 0.391052 0.000000 0.000000 1.300000 0.600000 1144 ARG HH12 H 0.391052 0.000000 0.000000 1.300000 0.600000 1145 ARG NH2 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 1146 ARG HH21 H 0.391052 0.000000 0.000000 1.300000 0.600000 1147 ARG HH22 H 0.391052 0.000000 0.000000 1.300000 0.600000 1148 ARG C C 0.730308 0.730308 -0.101702 1.700000 1.908000 1149 ARG O O -0.578332 -0.578332 0.151976 1.500000 1.661200 1150 ASN N N -0.430106 -0.175563 0.658955 1.550000 1.824000 1151 ASN H H 0.254543 0.000000 0.000000 1.300000 0.600000 1152 ASN CA CT 0.044609 0.104210 0.538780 1.700000 1.908000 1153 ASN HA H1 0.059601 0.000000 0.000000 1.300000 1.387000 1154 ASN CB CT -0.093650 -0.007008 0.680721 1.700000 1.908000 1155 ASN HB2 HC 0.043321 0.000000 0.000000 1.300000 1.487000 1156 ASN HB3 HC 0.043321 0.000000 0.000000 1.300000 1.487000 1157 ASN CG C 0.583519 0.583519 -0.021879 1.700000 1.908000 1158 ASN OD1 O -0.526813 -0.526813 0.056706 1.500000 1.661200 1159 ASN ND2 N -0.781735 -0.071577 0.511942 1.550000 1.824000 1160 ASN HD21 H 0.355079 0.000000 0.000000 1.300000 0.600000 1161 ASN HD22 H 0.355079 0.000000 0.000000 1.300000 0.600000 1162 ASN C C 0.617141 0.617141 0.086945 1.700000 1.908000 1163 ASN O O -0.523909 -0.523909 0.093232 1.500000 1.661200 1164 ALA N N -0.404773 -0.110497 0.599713 1.550000 1.824000 1165 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 1166 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 1167 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 1168 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 1169 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1170 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1171 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1172 ALA C C 0.570224 0.570224 -0.076409 1.700000 1.908000 1173 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 1174 LYS N N -0.435875 -0.184573 0.476356 1.550000 1.824000 1175 LYS H H 0.251302 0.000000 0.000000 1.300000 0.600000 1176 LYS CA CT -0.038773 0.090705 0.613416 1.700000 1.908000 1177 LYS HA H1 0.129478 0.000000 0.000000 1.300000 1.387000 1178 LYS CB CT -0.108273 -0.017845 0.126617 1.700000 1.908000 1179 LYS HB2 HC 0.045214 0.000000 0.000000 1.300000 1.487000 1180 LYS HB3 HC 0.045214 0.000000 0.000000 1.300000 1.487000 1181 LYS CG CT 0.033341 0.053757 0.129501 1.700000 1.908000 1182 LYS HG2 HC 0.010208 0.000000 0.000000 1.300000 1.487000 1183 LYS HG3 HC 0.010208 0.000000 0.000000 1.300000 1.487000 1184 LYS CD CT -0.047841 0.093589 0.316416 1.700000 1.908000 1185 LYS HD2 HC 0.070715 0.000000 0.000000 1.300000 1.487000 1186 LYS HD3 HC 0.070715 0.000000 0.000000 1.300000 1.487000 1187 LYS CE CT -0.069974 0.169070 0.895984 1.700000 1.908000 1188 LYS HE2 HP 0.119522 0.000000 0.000000 1.300000 1.100000 1189 LYS HE3 HP 0.119522 0.000000 0.000000 1.300000 1.100000 1190 LYS NZ N3 -0.250358 0.633325 0.802395 1.550000 1.824000 1191 LYS HZ1 H 0.294561 0.000000 0.000000 1.300000 0.600000 1192 LYS HZ2 H 0.294561 0.000000 0.000000 1.300000 0.600000 1193 LYS HZ3 H 0.294561 0.000000 0.000000 1.300000 0.600000 1194 LYS C C 0.725129 0.725129 0.159941 1.700000 1.908000 1195 LYS O O -0.563157 -0.563157 0.161972 1.500000 1.661200 1196 LEU N N -0.355153 -0.092736 0.667847 1.550000 1.824000 1197 LEU H H 0.262417 0.000000 0.000000 1.300000 0.600000 1198 LEU CA CT -0.101497 0.035454 0.476856 1.700000 1.908000 1199 LEU HA H1 0.136951 0.000000 0.000000 1.300000 1.387000 1200 LEU CB CT -0.144399 -0.039333 0.188928 1.700000 1.908000 1201 LEU HB2 HC 0.052533 0.000000 0.000000 1.300000 1.487000 1202 LEU HB3 HC 0.052533 0.000000 0.000000 1.300000 1.487000 1203 LEU CG CT 0.191982 0.192807 0.041658 1.700000 1.908000 1204 LEU HG HC 0.000825 0.000000 0.000000 1.300000 1.487000 1205 LEU CD1 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 1206 LEU HD11 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1207 LEU HD12 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1208 LEU HD13 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1209 LEU CD2 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 1210 LEU HD21 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1211 LEU HD22 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1212 LEU HD23 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1213 LEU C C 0.573471 0.573471 -0.133495 1.700000 1.908000 1214 LEU O O -0.557847 -0.557847 0.015624 1.500000 1.661200 1215 LYS N N -0.435875 -0.184573 0.479603 1.550000 1.824000 1216 LYS H H 0.251302 0.000000 0.000000 1.300000 0.600000 1217 LYS CA CT -0.038773 0.090705 0.613416 1.700000 1.908000 1218 LYS HA H1 0.129478 0.000000 0.000000 1.300000 1.387000 1219 LYS CB CT -0.108273 -0.017845 0.126617 1.700000 1.908000 1220 LYS HB2 HC 0.045214 0.000000 0.000000 1.300000 1.487000 1221 LYS HB3 HC 0.045214 0.000000 0.000000 1.300000 1.487000 1222 LYS CG CT 0.033341 0.053757 0.129501 1.700000 1.908000 1223 LYS HG2 HC 0.010208 0.000000 0.000000 1.300000 1.487000 1224 LYS HG3 HC 0.010208 0.000000 0.000000 1.300000 1.487000 1225 LYS CD CT -0.047841 0.093589 0.316416 1.700000 1.908000 1226 LYS HD2 HC 0.070715 0.000000 0.000000 1.300000 1.487000 1227 LYS HD3 HC 0.070715 0.000000 0.000000 1.300000 1.487000 1228 LYS CE CT -0.069974 0.169070 0.895984 1.700000 1.908000 1229 LYS HE2 HP 0.119522 0.000000 0.000000 1.300000 1.100000 1230 LYS HE3 HP 0.119522 0.000000 0.000000 1.300000 1.100000 1231 LYS NZ N3 -0.250358 0.633325 0.802395 1.550000 1.824000 1232 LYS HZ1 H 0.294561 0.000000 0.000000 1.300000 0.600000 1233 LYS HZ2 H 0.294561 0.000000 0.000000 1.300000 0.600000 1234 LYS HZ3 H 0.294561 0.000000 0.000000 1.300000 0.600000 1235 LYS C C 0.725129 0.725129 0.164561 1.700000 1.908000 1236 LYS O O -0.563157 -0.563157 0.161972 1.500000 1.661200 1237 PRO N N -0.088116 -0.088116 0.738408 1.550000 1.824000 1238 PRO CD CT -0.011905 0.075995 0.040086 1.700000 1.908000 1239 PRO HD2 H1 0.043950 0.000000 0.000000 1.300000 1.387000 1240 PRO HD3 H1 0.043950 0.000000 0.000000 1.300000 1.387000 1241 PRO CG CT 0.013059 0.052207 0.163555 1.700000 1.908000 1242 PRO HG2 HC 0.019574 0.000000 0.000000 1.300000 1.487000 1243 PRO HG3 HC 0.019574 0.000000 0.000000 1.300000 1.487000 1244 PRO CB CT -0.003351 0.035353 0.112960 1.700000 1.908000 1245 PRO HB2 HC 0.019352 0.000000 0.000000 1.300000 1.487000 1246 PRO HB3 HC 0.019352 0.000000 0.000000 1.300000 1.487000 1247 PRO CA CT -0.034577 0.025400 0.306357 1.700000 1.908000 1248 PRO HA H1 0.059977 0.000000 0.000000 1.300000 1.387000 1249 PRO C C 0.333720 0.333720 -0.085478 1.700000 1.908000 1250 PRO O O -0.434559 -0.434559 -0.100839 1.500000 1.661200 1251 VAL N N -0.450087 -0.010039 0.245619 1.550000 1.824000 1252 VAL H H 0.440048 0.000000 0.000000 1.300000 0.600000 1253 VAL CA CT -0.051858 -0.078062 0.638803 1.700000 1.908000 1254 VAL HA H1 -0.026204 0.000000 0.000000 1.300000 1.387000 1255 VAL CB CT 0.395217 0.279545 -0.032691 1.700000 1.908000 1256 VAL HB HC -0.115672 0.000000 0.000000 1.300000 1.487000 1257 VAL CG1 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 1258 VAL HG11 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1259 VAL HG12 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1260 VAL HG13 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1261 VAL CG2 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 1262 VAL HG21 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1263 VAL HG22 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1264 VAL HG23 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1265 VAL C C 0.447359 0.447359 -0.259371 1.700000 1.908000 1266 VAL O O -0.404629 -0.404629 0.042730 1.500000 1.661200 1267 TYR N N -0.487560 -0.224039 0.328435 1.550000 1.824000 1268 TYR H H 0.263521 0.000000 0.000000 1.300000 0.600000 1269 TYR CA CT 0.009614 0.105115 0.489803 1.700000 1.908000 1270 TYR HA H1 0.095501 0.000000 0.000000 1.300000 1.387000 1271 TYR CB CT -0.051853 -0.013563 0.204153 1.700000 1.908000 1272 TYR HB2 HC 0.019145 0.000000 0.000000 1.300000 1.487000 1273 TYR HB3 HC 0.019145 0.000000 0.000000 1.300000 1.487000 1274 TYR CG CA 0.112601 0.112601 -0.002454 1.700000 1.908000 1275 TYR CD1 CA -0.183461 -0.050746 0.017335 1.700000 1.908000 1276 TYR HD1 HA 0.132715 0.000000 0.000000 1.300000 1.459000 1277 TYR CE1 CA -0.181823 -0.044520 0.111011 1.700000 1.908000 1278 TYR HE1 HA 0.137303 0.000000 0.000000 1.300000 1.459000 1279 TYR CZ C 0.206277 0.206277 0.025695 1.700000 1.908000 1280 TYR OH OH -0.421233 -0.091542 0.114735 1.500000 1.721000 1281 TYR HH HO 0.329691 0.000000 0.000000 0.800000 0.000000 1282 TYR CE2 CA -0.181823 -0.044520 0.111011 1.700000 1.908000 1283 TYR HE2 HA 0.137303 0.000000 0.000000 1.300000 1.459000 1284 TYR CD2 CA -0.183461 -0.050746 0.017335 1.700000 1.908000 1285 TYR HD2 HA 0.132715 0.000000 0.000000 1.300000 1.459000 1286 TYR C C 0.622290 0.622290 -0.037727 1.700000 1.908000 1287 TYR O O -0.526607 -0.526607 0.095683 1.500000 1.661200 1288 ASP N N -0.558201 -0.238525 0.473365 1.550000 1.824000 1289 ASP H H 0.319676 0.000000 0.000000 1.300000 0.600000 1290 ASP CA CT 0.007225 0.089600 0.217047 1.700000 1.908000 1291 ASP HA H1 0.082375 0.000000 0.000000 1.300000 1.387000 1292 ASP CB CT -0.047555 -0.077227 0.757541 1.700000 1.908000 1293 ASP HB2 HC -0.014836 0.000000 0.000000 1.300000 1.487000 1294 ASP HB3 HC -0.014836 0.000000 0.000000 1.300000 1.487000 1295 ASP CG C 0.745168 0.745168 -0.792829 1.700000 1.908000 1296 ASP OD1 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 1297 ASP OD2 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 1298 ASP C C 0.443199 0.443199 -0.164661 1.700000 1.908000 1299 ASP O O -0.501445 -0.501445 -0.058246 1.500000 1.661200 1300 SER N N -0.541430 -0.196015 0.507501 1.550000 1.824000 1301 SER H H 0.345415 0.000000 0.000000 1.300000 0.600000 1302 SER CA CT 0.118140 0.260317 0.774886 1.700000 1.908000 1303 SER HA H1 0.142177 0.000000 0.000000 1.300000 1.387000 1304 SER CB CT 0.146998 0.227160 0.293420 1.700000 1.908000 1305 SER HB2 H1 0.040081 0.000000 0.000000 1.300000 1.387000 1306 SER HB3 H1 0.040081 0.000000 0.000000 1.300000 1.387000 1307 SER OG OH -0.640312 -0.194057 0.033103 1.500000 1.721000 1308 SER HG HO 0.446255 0.000000 0.000000 0.800000 0.000000 1309 SER C C 0.483424 0.483424 0.070176 1.700000 1.908000 1310 SER O O -0.580829 -0.580829 -0.097405 1.500000 1.661200 1311 LEU N N -0.355153 -0.092736 0.426142 1.550000 1.824000 1312 LEU H H 0.262417 0.000000 0.000000 1.300000 0.600000 1313 LEU CA CT -0.101497 0.035454 0.476856 1.700000 1.908000 1314 LEU HA H1 0.136951 0.000000 0.000000 1.300000 1.387000 1315 LEU CB CT -0.144399 -0.039333 0.188928 1.700000 1.908000 1316 LEU HB2 HC 0.052533 0.000000 0.000000 1.300000 1.487000 1317 LEU HB3 HC 0.052533 0.000000 0.000000 1.300000 1.487000 1318 LEU CG CT 0.191982 0.192807 0.041658 1.700000 1.908000 1319 LEU HG HC 0.000825 0.000000 0.000000 1.300000 1.487000 1320 LEU CD1 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 1321 LEU HD11 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1322 LEU HD12 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1323 LEU HD13 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1324 LEU CD2 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 1325 LEU HD21 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1326 LEU HD22 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1327 LEU HD23 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1328 LEU C C 0.573471 0.573471 -0.187447 1.700000 1.908000 1329 LEU O O -0.557847 -0.557847 0.015624 1.500000 1.661200 1330 ASP N N -0.558201 -0.238525 0.424546 1.550000 1.824000 1331 ASP H H 0.319676 0.000000 0.000000 1.300000 0.600000 1332 ASP CA CT 0.007225 0.089600 0.217047 1.700000 1.908000 1333 ASP HA H1 0.082375 0.000000 0.000000 1.300000 1.387000 1334 ASP CB CT -0.047555 -0.077227 0.757541 1.700000 1.908000 1335 ASP HB2 HC -0.014836 0.000000 0.000000 1.300000 1.487000 1336 ASP HB3 HC -0.014836 0.000000 0.000000 1.300000 1.487000 1337 ASP CG C 0.745168 0.745168 -0.792829 1.700000 1.908000 1338 ASP OD1 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 1339 ASP OD2 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 1340 ASP C C 0.443199 0.443199 -0.079143 1.700000 1.908000 1341 ASP O O -0.501445 -0.501445 -0.058246 1.500000 1.661200 1342 ALA N N -0.404773 -0.110497 0.425771 1.550000 1.824000 1343 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 1344 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 1345 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 1346 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 1347 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1348 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1349 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1350 ALA C C 0.570224 0.570224 0.098125 1.700000 1.908000 1351 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 1352 VAL N N -0.450087 -0.010039 0.482123 1.550000 1.824000 1353 VAL H H 0.440048 0.000000 0.000000 1.300000 0.600000 1354 VAL CA CT -0.051858 -0.078062 0.638803 1.700000 1.908000 1355 VAL HA H1 -0.026204 0.000000 0.000000 1.300000 1.387000 1356 VAL CB CT 0.395217 0.279545 -0.032691 1.700000 1.908000 1357 VAL HB HC -0.115672 0.000000 0.000000 1.300000 1.487000 1358 VAL CG1 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 1359 VAL HG11 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1360 VAL HG12 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1361 VAL HG13 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1362 VAL CG2 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 1363 VAL HG21 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1364 VAL HG22 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1365 VAL HG23 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1366 VAL C C 0.447359 0.447359 -0.102518 1.700000 1.908000 1367 VAL O O -0.404629 -0.404629 0.042730 1.500000 1.661200 1368 ARG N N -0.300879 -0.067186 0.302058 1.550000 1.824000 1369 ARG H H 0.233693 0.000000 0.000000 1.300000 0.600000 1370 ARG CA CT -0.131381 -0.078115 0.677738 1.700000 1.908000 1371 ARG HA H1 0.053266 0.000000 0.000000 1.300000 1.387000 1372 ARG CB CT 0.036707 0.092731 0.032998 1.700000 1.908000 1373 ARG HB2 HC 0.028012 0.000000 0.000000 1.300000 1.487000 1374 ARG HB3 HC 0.028012 0.000000 0.000000 1.300000 1.487000 1375 ARG CG CT 0.012454 0.018382 0.373738 1.700000 1.908000 1376 ARG HG2 HC 0.002964 0.000000 0.000000 1.300000 1.487000 1377 ARG HG3 HC 0.002964 0.000000 0.000000 1.300000 1.487000 1378 ARG CD CT 0.126329 0.262625 0.142391 1.700000 1.908000 1379 ARG HD2 H1 0.068148 0.000000 0.000000 1.300000 1.387000 1380 ARG HD3 H1 0.068148 0.000000 0.000000 1.300000 1.387000 1381 ARG NE N2 -0.464890 -0.138616 0.689552 1.550000 1.824000 1382 ARG HE H 0.326274 0.000000 0.000000 1.300000 0.600000 1383 ARG CZ CA 0.565543 0.565543 0.619587 1.700000 1.908000 1384 ARG NH1 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 1385 ARG HH11 H 0.391052 0.000000 0.000000 1.300000 0.600000 1386 ARG HH12 H 0.391052 0.000000 0.000000 1.300000 0.600000 1387 ARG NH2 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 1388 ARG HH21 H 0.391052 0.000000 0.000000 1.300000 0.600000 1389 ARG HH22 H 0.391052 0.000000 0.000000 1.300000 0.600000 1390 ARG C C 0.730308 0.730308 0.006675 1.700000 1.908000 1391 ARG O O -0.578332 -0.578332 0.151976 1.500000 1.661200 1392 ARG N N -0.300879 -0.067186 0.585007 1.550000 1.824000 1393 ARG H H 0.233693 0.000000 0.000000 1.300000 0.600000 1394 ARG CA CT -0.131381 -0.078115 0.677738 1.700000 1.908000 1395 ARG HA H1 0.053266 0.000000 0.000000 1.300000 1.387000 1396 ARG CB CT 0.036707 0.092731 0.032998 1.700000 1.908000 1397 ARG HB2 HC 0.028012 0.000000 0.000000 1.300000 1.487000 1398 ARG HB3 HC 0.028012 0.000000 0.000000 1.300000 1.487000 1399 ARG CG CT 0.012454 0.018382 0.373738 1.700000 1.908000 1400 ARG HG2 HC 0.002964 0.000000 0.000000 1.300000 1.487000 1401 ARG HG3 HC 0.002964 0.000000 0.000000 1.300000 1.487000 1402 ARG CD CT 0.126329 0.262625 0.142391 1.700000 1.908000 1403 ARG HD2 H1 0.068148 0.000000 0.000000 1.300000 1.387000 1404 ARG HD3 H1 0.068148 0.000000 0.000000 1.300000 1.387000 1405 ARG NE N2 -0.464890 -0.138616 0.689552 1.550000 1.824000 1406 ARG HE H 0.326274 0.000000 0.000000 1.300000 0.600000 1407 ARG CZ CA 0.565543 0.565543 0.619587 1.700000 1.908000 1408 ARG NH1 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 1409 ARG HH11 H 0.391052 0.000000 0.000000 1.300000 0.600000 1410 ARG HH12 H 0.391052 0.000000 0.000000 1.300000 0.600000 1411 ARG NH2 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 1412 ARG HH21 H 0.391052 0.000000 0.000000 1.300000 0.600000 1413 ARG HH22 H 0.391052 0.000000 0.000000 1.300000 0.600000 1414 ARG C C 0.730308 0.730308 -0.036636 1.700000 1.908000 1415 ARG O O -0.578332 -0.578332 0.151976 1.500000 1.661200 1416 ALA N N -0.404773 -0.110497 0.712880 1.550000 1.824000 1417 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 1418 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 1419 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 1420 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 1421 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1422 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1423 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1424 ALA C C 0.570224 0.570224 -0.002333 1.700000 1.908000 1425 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 1426 ALA N N -0.404773 -0.110497 0.552796 1.550000 1.824000 1427 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 1428 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 1429 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 1430 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 1431 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1432 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1433 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1434 ALA C C 0.570224 0.570224 -0.002333 1.700000 1.908000 1435 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 1436 ALA N N -0.404773 -0.110497 0.552796 1.550000 1.824000 1437 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 1438 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 1439 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 1440 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 1441 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1442 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1443 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1444 ALA C C 0.570224 0.570224 -0.014052 1.700000 1.908000 1445 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 1446 ILE N N -0.451047 -0.122216 0.520327 1.550000 1.824000 1447 ILE H H 0.328831 0.000000 0.000000 1.300000 0.600000 1448 ILE CA CT -0.101874 0.072319 0.643386 1.700000 1.908000 1449 ILE HA H1 0.174193 0.000000 0.000000 1.300000 1.387000 1450 ILE CB CT 0.062238 0.123900 0.202243 1.700000 1.908000 1451 ILE HB HC 0.061662 0.000000 0.000000 1.300000 1.487000 1452 ILE CG2 CT -0.129989 -0.039308 0.084592 1.700000 1.908000 1453 ILE HG21 HC 0.030227 0.000000 0.000000 1.300000 1.487000 1454 ILE HG22 HC 0.030227 0.000000 0.000000 1.300000 1.487000 1455 ILE HG23 HC 0.030227 0.000000 0.000000 1.300000 1.487000 1456 ILE CG1 CT 0.022230 0.045332 0.139357 1.700000 1.908000 1457 ILE HG12 HC 0.011551 0.000000 0.000000 1.300000 1.487000 1458 ILE HG13 HC 0.011551 0.000000 0.000000 1.300000 1.487000 1459 ILE CD1 CT -0.101251 -0.029875 0.015457 1.700000 1.908000 1460 ILE HD11 HC 0.023792 0.000000 0.000000 1.300000 1.487000 1461 ILE HD12 HC 0.023792 0.000000 0.000000 1.300000 1.487000 1462 ILE HD13 HC 0.023792 0.000000 0.000000 1.300000 1.487000 1463 ILE C C 0.569383 0.569383 -0.153396 1.700000 1.908000 1464 ILE O O -0.619535 -0.619535 -0.050152 1.500000 1.661200 1465 ASN N N -0.430106 -0.175563 0.498030 1.550000 1.824000 1466 ASN H H 0.254543 0.000000 0.000000 1.300000 0.600000 1467 ASN CA CT 0.044609 0.104210 0.538780 1.700000 1.908000 1468 ASN HA H1 0.059601 0.000000 0.000000 1.300000 1.387000 1469 ASN CB CT -0.093650 -0.007008 0.680721 1.700000 1.908000 1470 ASN HB2 HC 0.043321 0.000000 0.000000 1.300000 1.487000 1471 ASN HB3 HC 0.043321 0.000000 0.000000 1.300000 1.487000 1472 ASN CG C 0.583519 0.583519 -0.021879 1.700000 1.908000 1473 ASN OD1 O -0.526813 -0.526813 0.056706 1.500000 1.661200 1474 ASN ND2 N -0.781735 -0.071577 0.511942 1.550000 1.824000 1475 ASN HD21 H 0.355079 0.000000 0.000000 1.300000 0.600000 1476 ASN HD22 H 0.355079 0.000000 0.000000 1.300000 0.600000 1477 ASN C C 0.617141 0.617141 0.083061 1.700000 1.908000 1478 ASN O O -0.523909 -0.523909 0.093232 1.500000 1.661200 1479 MET N N -0.394918 -0.114381 0.538159 1.550000 1.824000 1480 MET H H 0.280537 0.000000 0.000000 1.300000 0.600000 1481 MET CA CT -0.087681 0.035399 0.637609 1.700000 1.908000 1482 MET HA H1 0.123080 0.000000 0.000000 1.300000 1.387000 1483 MET CB CT 0.019227 0.116907 0.192595 1.700000 1.908000 1484 MET HB2 HC 0.048840 0.000000 0.000000 1.300000 1.487000 1485 MET HB3 HC 0.048840 0.000000 0.000000 1.300000 1.487000 1486 MET CG CT -0.208167 0.040289 -0.054762 1.700000 1.908000 1487 MET HG2 H1 0.124228 0.000000 0.000000 1.300000 1.387000 1488 MET HG3 H1 0.124228 0.000000 0.000000 1.300000 1.387000 1489 MET SD S -0.211958 -0.211958 -0.071185 1.800000 2.000000 1490 MET CE CT -0.284698 0.100484 -0.111474 1.700000 1.908000 1491 MET HE1 H1 0.128394 0.000000 0.000000 1.300000 1.387000 1492 MET HE2 H1 0.128394 0.000000 0.000000 1.300000 1.387000 1493 MET HE3 H1 0.128394 0.000000 0.000000 1.300000 1.387000 1494 MET C C 0.599684 0.599684 0.058620 1.700000 1.908000 1495 MET O O -0.566424 -0.566424 0.033260 1.500000 1.661200 1496 VAL N N -0.450087 -0.010039 0.511583 1.550000 1.824000 1497 VAL H H 0.440048 0.000000 0.000000 1.300000 0.600000 1498 VAL CA CT -0.051858 -0.078062 0.638803 1.700000 1.908000 1499 VAL HA H1 -0.026204 0.000000 0.000000 1.300000 1.387000 1500 VAL CB CT 0.395217 0.279545 -0.032691 1.700000 1.908000 1501 VAL HB HC -0.115672 0.000000 0.000000 1.300000 1.487000 1502 VAL CG1 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 1503 VAL HG11 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1504 VAL HG12 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1505 VAL HG13 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1506 VAL CG2 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 1507 VAL HG21 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1508 VAL HG22 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1509 VAL HG23 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1510 VAL C C 0.447359 0.447359 -0.122080 1.700000 1.908000 1511 VAL O O -0.404629 -0.404629 0.042730 1.500000 1.661200 1512 GLN N N -0.387353 -0.086748 0.550336 1.550000 1.824000 1513 GLN H H 0.300605 0.000000 0.000000 1.300000 0.600000 1514 GLN CA CT 0.037470 0.189725 0.551432 1.700000 1.908000 1515 GLN HA H1 0.152255 0.000000 0.000000 1.300000 1.387000 1516 GLN CB CT -0.032112 0.029878 0.260921 1.700000 1.908000 1517 GLN HB2 HC 0.030995 0.000000 0.000000 1.300000 1.487000 1518 GLN HB3 HC 0.030995 0.000000 0.000000 1.300000 1.487000 1519 GLN CG CT -0.020264 0.041318 0.739008 1.700000 1.908000 1520 GLN HG2 HC 0.030791 0.000000 0.000000 1.300000 1.487000 1521 GLN HG3 HC 0.030791 0.000000 0.000000 1.300000 1.487000 1522 GLN CD C 0.667812 0.667812 0.013878 1.700000 1.908000 1523 GLN OE1 O -0.628483 -0.628483 0.039329 1.500000 1.661200 1524 GLN NE2 N -0.883393 -0.066769 0.601043 1.550000 1.824000 1525 GLN HE21 H 0.408312 0.000000 0.000000 1.300000 0.600000 1526 GLN HE22 H 0.408312 0.000000 0.000000 1.300000 0.600000 1527 GLN C C 0.418577 0.418577 -0.071389 1.700000 1.908000 1528 GLN O O -0.565310 -0.565310 -0.146733 1.500000 1.661200 1529 MET N N -0.394918 -0.114381 0.339595 1.550000 1.824000 1530 MET H H 0.280537 0.000000 0.000000 1.300000 0.600000 1531 MET CA CT -0.087681 0.035399 0.637609 1.700000 1.908000 1532 MET HA H1 0.123080 0.000000 0.000000 1.300000 1.387000 1533 MET CB CT 0.019227 0.116907 0.192595 1.700000 1.908000 1534 MET HB2 HC 0.048840 0.000000 0.000000 1.300000 1.487000 1535 MET HB3 HC 0.048840 0.000000 0.000000 1.300000 1.487000 1536 MET CG CT -0.208167 0.040289 -0.054762 1.700000 1.908000 1537 MET HG2 H1 0.124228 0.000000 0.000000 1.300000 1.387000 1538 MET HG3 H1 0.124228 0.000000 0.000000 1.300000 1.387000 1539 MET SD S -0.211958 -0.211958 -0.071185 1.800000 2.000000 1540 MET CE CT -0.284698 0.100484 -0.111474 1.700000 1.908000 1541 MET HE1 H1 0.128394 0.000000 0.000000 1.300000 1.387000 1542 MET HE2 H1 0.128394 0.000000 0.000000 1.300000 1.387000 1543 MET HE3 H1 0.128394 0.000000 0.000000 1.300000 1.387000 1544 MET C C 0.599684 0.599684 -0.051642 1.700000 1.908000 1545 MET O O -0.566424 -0.566424 0.033260 1.500000 1.661200 1546 GLY N N -0.374282 -0.120301 0.528257 1.550000 1.824000 1547 GLY H H 0.253981 0.000000 0.000000 1.300000 0.600000 1548 GLY CA CT -0.128844 0.048874 0.509157 1.700000 1.908000 1549 GLY HA2 H0 0.088859 0.000000 0.000000 1.300000 1.387000 1550 GLY HA3 H0 0.088859 0.000000 0.000000 1.300000 1.387000 1551 GLY C C 0.580584 0.580584 0.003720 1.700000 1.908000 1552 GLY O O -0.509157 -0.509157 0.071427 1.500000 1.661200 1553 GLU N N -0.423392 -0.116581 0.560736 1.550000 1.824000 1554 GLU H H 0.306811 0.000000 0.000000 1.300000 0.600000 1555 GLU CA CT 0.031633 0.096733 0.517589 1.700000 1.908000 1556 GLU HA H1 0.065100 0.000000 0.000000 1.300000 1.387000 1557 GLU CB CT 0.074772 0.067702 0.122256 1.700000 1.908000 1558 GLU HB2 HC -0.003535 0.000000 0.000000 1.300000 1.487000 1559 GLU HB3 HC -0.003535 0.000000 0.000000 1.300000 1.487000 1560 GLU CG CT -0.033909 -0.042179 0.790711 1.700000 1.908000 1561 GLU HG2 HC -0.004135 0.000000 0.000000 1.300000 1.487000 1562 GLU HG3 HC -0.004135 0.000000 0.000000 1.300000 1.487000 1563 GLU CD C 0.765188 0.765188 -0.925061 1.700000 1.908000 1564 GLU OE1 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 1565 GLU OE2 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 1566 GLU C C 0.469735 0.469735 -0.146361 1.700000 1.908000 1567 GLU O O -0.592528 -0.592528 -0.122793 1.500000 1.661200 1568 GLY N N -0.374282 -0.120301 0.398308 1.550000 1.824000 1569 GLY H H 0.253981 0.000000 0.000000 1.300000 0.600000 1570 GLY CA CT -0.128844 0.048874 0.509157 1.700000 1.908000 1571 GLY HA2 H0 0.088859 0.000000 0.000000 1.300000 1.387000 1572 GLY HA3 H0 0.088859 0.000000 0.000000 1.300000 1.387000 1573 GLY C C 0.580584 0.580584 0.110262 1.700000 1.908000 1574 GLY O O -0.509157 -0.509157 0.071427 1.500000 1.661200 1575 VAL N N -0.450087 -0.010039 0.492483 1.550000 1.824000 1576 VAL H H 0.440048 0.000000 0.000000 1.300000 0.600000 1577 VAL CA CT -0.051858 -0.078062 0.638803 1.700000 1.908000 1578 VAL HA H1 -0.026204 0.000000 0.000000 1.300000 1.387000 1579 VAL CB CT 0.395217 0.279545 -0.032691 1.700000 1.908000 1580 VAL HB HC -0.115672 0.000000 0.000000 1.300000 1.487000 1581 VAL CG1 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 1582 VAL HG11 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1583 VAL HG12 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1584 VAL HG13 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1585 VAL CG2 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 1586 VAL HG21 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1587 VAL HG22 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1588 VAL HG23 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1589 VAL C C 0.447359 0.447359 -0.145829 1.700000 1.908000 1590 VAL O O -0.404629 -0.404629 0.042730 1.500000 1.661200 1591 ALA N N -0.404773 -0.110497 0.429931 1.550000 1.824000 1592 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 1593 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 1594 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 1595 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 1596 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1597 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1598 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1599 ALA C C 0.570224 0.570224 -0.012137 1.700000 1.908000 1600 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 1601 GLY N N -0.374282 -0.120301 0.498797 1.550000 1.824000 1602 GLY H H 0.253981 0.000000 0.000000 1.300000 0.600000 1603 GLY CA CT -0.128844 0.048874 0.509157 1.700000 1.908000 1604 GLY HA2 H0 0.088859 0.000000 0.000000 1.300000 1.387000 1605 GLY HA3 H0 0.088859 0.000000 0.000000 1.300000 1.387000 1606 GLY C C 0.580584 0.580584 -0.055262 1.700000 1.908000 1607 GLY O O -0.509157 -0.509157 0.071427 1.500000 1.661200 1608 ASN N N -0.430106 -0.175563 0.509231 1.550000 1.824000 1609 ASN H H 0.254543 0.000000 0.000000 1.300000 0.600000 1610 ASN CA CT 0.044609 0.104210 0.538780 1.700000 1.908000 1611 ASN HA H1 0.059601 0.000000 0.000000 1.300000 1.387000 1612 ASN CB CT -0.093650 -0.007008 0.680721 1.700000 1.908000 1613 ASN HB2 HC 0.043321 0.000000 0.000000 1.300000 1.487000 1614 ASN HB3 HC 0.043321 0.000000 0.000000 1.300000 1.487000 1615 ASN CG C 0.583519 0.583519 -0.021879 1.700000 1.908000 1616 ASN OD1 O -0.526813 -0.526813 0.056706 1.500000 1.661200 1617 ASN ND2 N -0.781735 -0.071577 0.511942 1.550000 1.824000 1618 ASN HD21 H 0.355079 0.000000 0.000000 1.300000 0.600000 1619 ASN HD22 H 0.355079 0.000000 0.000000 1.300000 0.600000 1620 ASN C C 0.617141 0.617141 0.001427 1.700000 1.908000 1621 ASN O O -0.523909 -0.523909 0.093232 1.500000 1.661200 1622 SER N N -0.541430 -0.196015 0.681443 1.550000 1.824000 1623 SER H H 0.345415 0.000000 0.000000 1.300000 0.600000 1624 SER CA CT 0.118140 0.260317 0.774886 1.700000 1.908000 1625 SER HA H1 0.142177 0.000000 0.000000 1.300000 1.387000 1626 SER CB CT 0.146998 0.227160 0.293420 1.700000 1.908000 1627 SER HB2 H1 0.040081 0.000000 0.000000 1.300000 1.387000 1628 SER HB3 H1 0.040081 0.000000 0.000000 1.300000 1.387000 1629 SER OG OH -0.640312 -0.194057 0.033103 1.500000 1.721000 1630 SER HG HO 0.446255 0.000000 0.000000 0.800000 0.000000 1631 SER C C 0.483424 0.483424 0.070176 1.700000 1.908000 1632 SER O O -0.580829 -0.580829 -0.097405 1.500000 1.661200 1633 LEU N N -0.355153 -0.092736 0.426142 1.550000 1.824000 1634 LEU H H 0.262417 0.000000 0.000000 1.300000 0.600000 1635 LEU CA CT -0.101497 0.035454 0.476856 1.700000 1.908000 1636 LEU HA H1 0.136951 0.000000 0.000000 1.300000 1.387000 1637 LEU CB CT -0.144399 -0.039333 0.188928 1.700000 1.908000 1638 LEU HB2 HC 0.052533 0.000000 0.000000 1.300000 1.487000 1639 LEU HB3 HC 0.052533 0.000000 0.000000 1.300000 1.487000 1640 LEU CG CT 0.191982 0.192807 0.041658 1.700000 1.908000 1641 LEU HG HC 0.000825 0.000000 0.000000 1.300000 1.487000 1642 LEU CD1 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 1643 LEU HD11 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1644 LEU HD12 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1645 LEU HD13 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1646 LEU CD2 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 1647 LEU HD21 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1648 LEU HD22 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1649 LEU HD23 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1650 LEU C C 0.573471 0.573471 -0.016108 1.700000 1.908000 1651 LEU O O -0.557847 -0.557847 0.015624 1.500000 1.661200 1652 ARG N N -0.300879 -0.067186 0.428170 1.550000 1.824000 1653 ARG H H 0.233693 0.000000 0.000000 1.300000 0.600000 1654 ARG CA CT -0.131381 -0.078115 0.677738 1.700000 1.908000 1655 ARG HA H1 0.053266 0.000000 0.000000 1.300000 1.387000 1656 ARG CB CT 0.036707 0.092731 0.032998 1.700000 1.908000 1657 ARG HB2 HC 0.028012 0.000000 0.000000 1.300000 1.487000 1658 ARG HB3 HC 0.028012 0.000000 0.000000 1.300000 1.487000 1659 ARG CG CT 0.012454 0.018382 0.373738 1.700000 1.908000 1660 ARG HG2 HC 0.002964 0.000000 0.000000 1.300000 1.487000 1661 ARG HG3 HC 0.002964 0.000000 0.000000 1.300000 1.487000 1662 ARG CD CT 0.126329 0.262625 0.142391 1.700000 1.908000 1663 ARG HD2 H1 0.068148 0.000000 0.000000 1.300000 1.387000 1664 ARG HD3 H1 0.068148 0.000000 0.000000 1.300000 1.387000 1665 ARG NE N2 -0.464890 -0.138616 0.689552 1.550000 1.824000 1666 ARG HE H 0.326274 0.000000 0.000000 1.300000 0.600000 1667 ARG CZ CA 0.565543 0.565543 0.619587 1.700000 1.908000 1668 ARG NH1 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 1669 ARG HH11 H 0.391052 0.000000 0.000000 1.300000 0.600000 1670 ARG HH12 H 0.391052 0.000000 0.000000 1.300000 0.600000 1671 ARG NH2 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 1672 ARG HH21 H 0.391052 0.000000 0.000000 1.300000 0.600000 1673 ARG HH22 H 0.391052 0.000000 0.000000 1.300000 0.600000 1674 ARG C C 0.730308 0.730308 -0.040520 1.700000 1.908000 1675 ARG O O -0.578332 -0.578332 0.151976 1.500000 1.661200 1676 MET N N -0.394918 -0.114381 0.651326 1.550000 1.824000 1677 MET H H 0.280537 0.000000 0.000000 1.300000 0.600000 1678 MET CA CT -0.087681 0.035399 0.637609 1.700000 1.908000 1679 MET HA H1 0.123080 0.000000 0.000000 1.300000 1.387000 1680 MET CB CT 0.019227 0.116907 0.192595 1.700000 1.908000 1681 MET HB2 HC 0.048840 0.000000 0.000000 1.300000 1.487000 1682 MET HB3 HC 0.048840 0.000000 0.000000 1.300000 1.487000 1683 MET CG CT -0.208167 0.040289 -0.054762 1.700000 1.908000 1684 MET HG2 H1 0.124228 0.000000 0.000000 1.300000 1.387000 1685 MET HG3 H1 0.124228 0.000000 0.000000 1.300000 1.387000 1686 MET SD S -0.211958 -0.211958 -0.071185 1.800000 2.000000 1687 MET CE CT -0.284698 0.100484 -0.111474 1.700000 1.908000 1688 MET HE1 H1 0.128394 0.000000 0.000000 1.300000 1.387000 1689 MET HE2 H1 0.128394 0.000000 0.000000 1.300000 1.387000 1690 MET HE3 H1 0.128394 0.000000 0.000000 1.300000 1.387000 1691 MET C C 0.599684 0.599684 -0.024077 1.700000 1.908000 1692 MET O O -0.566424 -0.566424 0.033260 1.500000 1.661200 1693 LEU N N -0.355153 -0.092736 0.542402 1.550000 1.824000 1694 LEU H H 0.262417 0.000000 0.000000 1.300000 0.600000 1695 LEU CA CT -0.101497 0.035454 0.476856 1.700000 1.908000 1696 LEU HA H1 0.136951 0.000000 0.000000 1.300000 1.387000 1697 LEU CB CT -0.144399 -0.039333 0.188928 1.700000 1.908000 1698 LEU HB2 HC 0.052533 0.000000 0.000000 1.300000 1.487000 1699 LEU HB3 HC 0.052533 0.000000 0.000000 1.300000 1.487000 1700 LEU CG CT 0.191982 0.192807 0.041658 1.700000 1.908000 1701 LEU HG HC 0.000825 0.000000 0.000000 1.300000 1.487000 1702 LEU CD1 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 1703 LEU HD11 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1704 LEU HD12 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1705 LEU HD13 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1706 LEU CD2 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 1707 LEU HD21 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1708 LEU HD22 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1709 LEU HD23 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1710 LEU C C 0.573471 0.573471 -0.035670 1.700000 1.908000 1711 LEU O O -0.557847 -0.557847 0.015624 1.500000 1.661200 1712 GLN N N -0.387353 -0.086748 0.676448 1.550000 1.824000 1713 GLN H H 0.300605 0.000000 0.000000 1.300000 0.600000 1714 GLN CA CT 0.037470 0.189725 0.551432 1.700000 1.908000 1715 GLN HA H1 0.152255 0.000000 0.000000 1.300000 1.387000 1716 GLN CB CT -0.032112 0.029878 0.260921 1.700000 1.908000 1717 GLN HB2 HC 0.030995 0.000000 0.000000 1.300000 1.487000 1718 GLN HB3 HC 0.030995 0.000000 0.000000 1.300000 1.487000 1719 GLN CG CT -0.020264 0.041318 0.739008 1.700000 1.908000 1720 GLN HG2 HC 0.030791 0.000000 0.000000 1.300000 1.487000 1721 GLN HG3 HC 0.030791 0.000000 0.000000 1.300000 1.487000 1722 GLN CD C 0.667812 0.667812 0.013878 1.700000 1.908000 1723 GLN OE1 O -0.628483 -0.628483 0.039329 1.500000 1.661200 1724 GLN NE2 N -0.883393 -0.066769 0.601043 1.550000 1.824000 1725 GLN HE21 H 0.408312 0.000000 0.000000 1.300000 0.600000 1726 GLN HE22 H 0.408312 0.000000 0.000000 1.300000 0.600000 1727 GLN C C 0.418577 0.418577 -0.043756 1.700000 1.908000 1728 GLN O O -0.565310 -0.565310 -0.146733 1.500000 1.661200 1729 GLN N N -0.387353 -0.086748 0.521554 1.550000 1.824000 1730 GLN H H 0.300605 0.000000 0.000000 1.300000 0.600000 1731 GLN CA CT 0.037470 0.189725 0.551432 1.700000 1.908000 1732 GLN HA H1 0.152255 0.000000 0.000000 1.300000 1.387000 1733 GLN CB CT -0.032112 0.029878 0.260921 1.700000 1.908000 1734 GLN HB2 HC 0.030995 0.000000 0.000000 1.300000 1.487000 1735 GLN HB3 HC 0.030995 0.000000 0.000000 1.300000 1.487000 1736 GLN CG CT -0.020264 0.041318 0.739008 1.700000 1.908000 1737 GLN HG2 HC 0.030791 0.000000 0.000000 1.300000 1.487000 1738 GLN HG3 HC 0.030791 0.000000 0.000000 1.300000 1.487000 1739 GLN CD C 0.667812 0.667812 0.013878 1.700000 1.908000 1740 GLN OE1 O -0.628483 -0.628483 0.039329 1.500000 1.661200 1741 GLN NE2 N -0.883393 -0.066769 0.601043 1.550000 1.824000 1742 GLN HE21 H 0.408312 0.000000 0.000000 1.300000 0.600000 1743 GLN HE22 H 0.408312 0.000000 0.000000 1.300000 0.600000 1744 GLN C C 0.418577 0.418577 -0.141581 1.700000 1.908000 1745 GLN O O -0.565310 -0.565310 -0.146733 1.500000 1.661200 1746 LYS N N -0.435875 -0.184573 0.324709 1.550000 1.824000 1747 LYS H H 0.251302 0.000000 0.000000 1.300000 0.600000 1748 LYS CA CT -0.038773 0.090705 0.613416 1.700000 1.908000 1749 LYS HA H1 0.129478 0.000000 0.000000 1.300000 1.387000 1750 LYS CB CT -0.108273 -0.017845 0.126617 1.700000 1.908000 1751 LYS HB2 HC 0.045214 0.000000 0.000000 1.300000 1.487000 1752 LYS HB3 HC 0.045214 0.000000 0.000000 1.300000 1.487000 1753 LYS CG CT 0.033341 0.053757 0.129501 1.700000 1.908000 1754 LYS HG2 HC 0.010208 0.000000 0.000000 1.300000 1.487000 1755 LYS HG3 HC 0.010208 0.000000 0.000000 1.300000 1.487000 1756 LYS CD CT -0.047841 0.093589 0.316416 1.700000 1.908000 1757 LYS HD2 HC 0.070715 0.000000 0.000000 1.300000 1.487000 1758 LYS HD3 HC 0.070715 0.000000 0.000000 1.300000 1.487000 1759 LYS CE CT -0.069974 0.169070 0.895984 1.700000 1.908000 1760 LYS HE2 HP 0.119522 0.000000 0.000000 1.300000 1.100000 1761 LYS HE3 HP 0.119522 0.000000 0.000000 1.300000 1.100000 1762 LYS NZ N3 -0.250358 0.633325 0.802395 1.550000 1.824000 1763 LYS HZ1 H 0.294561 0.000000 0.000000 1.300000 0.600000 1764 LYS HZ2 H 0.294561 0.000000 0.000000 1.300000 0.600000 1765 LYS HZ3 H 0.294561 0.000000 0.000000 1.300000 0.600000 1766 LYS C C 0.725129 0.725129 0.185491 1.700000 1.908000 1767 LYS O O -0.563157 -0.563157 0.161972 1.500000 1.661200 1768 ARG N N -0.300879 -0.067186 0.579828 1.550000 1.824000 1769 ARG H H 0.233693 0.000000 0.000000 1.300000 0.600000 1770 ARG CA CT -0.131381 -0.078115 0.677738 1.700000 1.908000 1771 ARG HA H1 0.053266 0.000000 0.000000 1.300000 1.387000 1772 ARG CB CT 0.036707 0.092731 0.032998 1.700000 1.908000 1773 ARG HB2 HC 0.028012 0.000000 0.000000 1.300000 1.487000 1774 ARG HB3 HC 0.028012 0.000000 0.000000 1.300000 1.487000 1775 ARG CG CT 0.012454 0.018382 0.373738 1.700000 1.908000 1776 ARG HG2 HC 0.002964 0.000000 0.000000 1.300000 1.487000 1777 ARG HG3 HC 0.002964 0.000000 0.000000 1.300000 1.487000 1778 ARG CD CT 0.126329 0.262625 0.142391 1.700000 1.908000 1779 ARG HD2 H1 0.068148 0.000000 0.000000 1.300000 1.387000 1780 ARG HD3 H1 0.068148 0.000000 0.000000 1.300000 1.387000 1781 ARG NE N2 -0.464890 -0.138616 0.689552 1.550000 1.824000 1782 ARG HE H 0.326274 0.000000 0.000000 1.300000 0.600000 1783 ARG CZ CA 0.565543 0.565543 0.619587 1.700000 1.908000 1784 ARG NH1 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 1785 ARG HH11 H 0.391052 0.000000 0.000000 1.300000 0.600000 1786 ARG HH12 H 0.391052 0.000000 0.000000 1.300000 0.600000 1787 ARG NH2 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 1788 ARG HH21 H 0.391052 0.000000 0.000000 1.300000 0.600000 1789 ARG HH22 H 0.391052 0.000000 0.000000 1.300000 0.600000 1790 ARG C C 0.730308 0.730308 -0.112002 1.700000 1.908000 1791 ARG O O -0.578332 -0.578332 0.151976 1.500000 1.661200 1792 TRP N N -0.427579 -0.185863 0.630992 1.550000 1.824000 1793 TRP H H 0.241716 0.000000 0.000000 1.300000 0.600000 1794 TRP CA CT -0.020082 0.086547 0.517297 1.700000 1.908000 1795 TRP HA H1 0.106629 0.000000 0.000000 1.300000 1.387000 1796 TRP CB CT -0.098364 0.032484 0.019234 1.700000 1.908000 1797 TRP HB2 HC 0.065424 0.000000 0.000000 1.300000 1.487000 1798 TRP HB3 HC 0.065424 0.000000 0.000000 1.300000 1.487000 1799 TRP CG C* -0.099797 -0.099797 0.018908 1.700000 1.908000 1800 TRP CD1 CW -0.174053 -0.003420 -0.079275 1.700000 1.908000 1801 TRP HD1 H4 0.170633 0.000000 0.000000 1.300000 1.409000 1802 TRP NE1 NA -0.298433 0.023942 0.162045 1.550000 1.824000 1803 TRP HE1 H 0.322375 0.000000 0.000000 1.300000 0.600000 1804 TRP CE2 CN 0.141523 0.141523 0.169917 1.700000 1.908000 1805 TRP CZ2 CA -0.210701 -0.085189 0.042779 1.700000 1.908000 1806 TRP HZ2 HA 0.125512 0.000000 0.000000 1.300000 1.459000 1807 TRP CH2 CA -0.133022 -0.013555 -0.143548 1.700000 1.908000 1808 TRP HH2 HA 0.119467 0.000000 0.000000 1.300000 1.459000 1809 TRP CZ3 CA -0.164054 -0.044804 -0.089267 1.700000 1.908000 1810 TRP HZ3 HA 0.119250 0.000000 0.000000 1.300000 1.459000 1811 TRP CE3 CA -0.153992 -0.030908 0.013929 1.700000 1.908000 1812 TRP HE3 HA 0.123084 0.000000 0.000000 1.300000 1.459000 1813 TRP CD2 CB 0.089641 0.089641 0.100459 1.700000 1.908000 1814 TRP C C 0.584129 0.584129 -0.062579 1.700000 1.908000 1815 TRP O O -0.494730 -0.494730 0.089399 1.500000 1.661200 1816 ASP N N -0.558201 -0.238525 0.435204 1.550000 1.824000 1817 ASP H H 0.319676 0.000000 0.000000 1.300000 0.600000 1818 ASP CA CT 0.007225 0.089600 0.217047 1.700000 1.908000 1819 ASP HA H1 0.082375 0.000000 0.000000 1.300000 1.387000 1820 ASP CB CT -0.047555 -0.077227 0.757541 1.700000 1.908000 1821 ASP HB2 HC -0.014836 0.000000 0.000000 1.300000 1.487000 1822 ASP HB3 HC -0.014836 0.000000 0.000000 1.300000 1.487000 1823 ASP CG C 0.745168 0.745168 -0.792829 1.700000 1.908000 1824 ASP OD1 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 1825 ASP OD2 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 1826 ASP C C 0.443199 0.443199 -0.085227 1.700000 1.908000 1827 ASP O O -0.501445 -0.501445 -0.058246 1.500000 1.661200 1828 GLU N N -0.423392 -0.116581 0.423351 1.550000 1.824000 1829 GLU H H 0.306811 0.000000 0.000000 1.300000 0.600000 1830 GLU CA CT 0.031633 0.096733 0.517589 1.700000 1.908000 1831 GLU HA H1 0.065100 0.000000 0.000000 1.300000 1.387000 1832 GLU CB CT 0.074772 0.067702 0.122256 1.700000 1.908000 1833 GLU HB2 HC -0.003535 0.000000 0.000000 1.300000 1.487000 1834 GLU HB3 HC -0.003535 0.000000 0.000000 1.300000 1.487000 1835 GLU CG CT -0.033909 -0.042179 0.790711 1.700000 1.908000 1836 GLU HG2 HC -0.004135 0.000000 0.000000 1.300000 1.487000 1837 GLU HG3 HC -0.004135 0.000000 0.000000 1.300000 1.487000 1838 GLU CD C 0.765188 0.765188 -0.925061 1.700000 1.908000 1839 GLU OE1 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 1840 GLU OE2 O2 -0.824035 -0.824035 -0.058847 1.500000 1.661200 1841 GLU C C 0.469735 0.469735 -0.136557 1.700000 1.908000 1842 GLU O O -0.592528 -0.592528 -0.122793 1.500000 1.661200 1843 ALA N N -0.404773 -0.110497 0.452307 1.550000 1.824000 1844 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 1845 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 1846 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 1847 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 1848 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1849 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1850 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1851 ALA C C 0.570224 0.570224 -0.002333 1.700000 1.908000 1852 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 1853 ALA N N -0.404773 -0.110497 0.552796 1.550000 1.824000 1854 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 1855 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 1856 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 1857 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 1858 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1859 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1860 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1861 ALA C C 0.570224 0.570224 0.098125 1.700000 1.908000 1862 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 1863 VAL N N -0.450087 -0.010039 0.482123 1.550000 1.824000 1864 VAL H H 0.440048 0.000000 0.000000 1.300000 0.600000 1865 VAL CA CT -0.051858 -0.078062 0.638803 1.700000 1.908000 1866 VAL HA H1 -0.026204 0.000000 0.000000 1.300000 1.387000 1867 VAL CB CT 0.395217 0.279545 -0.032691 1.700000 1.908000 1868 VAL HB HC -0.115672 0.000000 0.000000 1.300000 1.487000 1869 VAL CG1 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 1870 VAL HG11 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1871 VAL HG12 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1872 VAL HG13 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1873 VAL CG2 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 1874 VAL HG21 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1875 VAL HG22 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1876 VAL HG23 HC -0.008985 0.000000 0.000000 1.300000 1.487000 1877 VAL C C 0.447359 0.447359 -0.210895 1.700000 1.908000 1878 VAL O O -0.404629 -0.404629 0.042730 1.500000 1.661200 1879 ASN N N -0.430106 -0.175563 0.376006 1.550000 1.824000 1880 ASN H H 0.254543 0.000000 0.000000 1.300000 0.600000 1881 ASN CA CT 0.044609 0.104210 0.538780 1.700000 1.908000 1882 ASN HA H1 0.059601 0.000000 0.000000 1.300000 1.387000 1883 ASN CB CT -0.093650 -0.007008 0.680721 1.700000 1.908000 1884 ASN HB2 HC 0.043321 0.000000 0.000000 1.300000 1.487000 1885 ASN HB3 HC 0.043321 0.000000 0.000000 1.300000 1.487000 1886 ASN CG C 0.583519 0.583519 -0.021879 1.700000 1.908000 1887 ASN OD1 O -0.526813 -0.526813 0.056706 1.500000 1.661200 1888 ASN ND2 N -0.781735 -0.071577 0.511942 1.550000 1.824000 1889 ASN HD21 H 0.355079 0.000000 0.000000 1.300000 0.600000 1890 ASN HD22 H 0.355079 0.000000 0.000000 1.300000 0.600000 1891 ASN C C 0.617141 0.617141 0.104706 1.700000 1.908000 1892 ASN O O -0.523909 -0.523909 0.093232 1.500000 1.661200 1893 LEU N N -0.355153 -0.092736 0.559859 1.550000 1.824000 1894 LEU H H 0.262417 0.000000 0.000000 1.300000 0.600000 1895 LEU CA CT -0.101497 0.035454 0.476856 1.700000 1.908000 1896 LEU HA H1 0.136951 0.000000 0.000000 1.300000 1.387000 1897 LEU CB CT -0.144399 -0.039333 0.188928 1.700000 1.908000 1898 LEU HB2 HC 0.052533 0.000000 0.000000 1.300000 1.487000 1899 LEU HB3 HC 0.052533 0.000000 0.000000 1.300000 1.487000 1900 LEU CG CT 0.191982 0.192807 0.041658 1.700000 1.908000 1901 LEU HG HC 0.000825 0.000000 0.000000 1.300000 1.487000 1902 LEU CD1 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 1903 LEU HD11 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1904 LEU HD12 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1905 LEU HD13 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1906 LEU CD2 CT -0.123036 -0.055908 0.136899 1.700000 1.908000 1907 LEU HD21 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1908 LEU HD22 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1909 LEU HD23 HC 0.022376 0.000000 0.000000 1.300000 1.487000 1910 LEU C C 0.573471 0.573471 -0.059419 1.700000 1.908000 1911 LEU O O -0.557847 -0.557847 0.015624 1.500000 1.661200 1912 ALA N N -0.404773 -0.110497 0.556043 1.550000 1.824000 1913 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 1914 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 1915 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 1916 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 1917 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1918 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1919 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 1920 ALA C C 0.570224 0.570224 -0.076409 1.700000 1.908000 1921 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 1922 LYS N N -0.435875 -0.184573 0.476356 1.550000 1.824000 1923 LYS H H 0.251302 0.000000 0.000000 1.300000 0.600000 1924 LYS CA CT -0.038773 0.090705 0.613416 1.700000 1.908000 1925 LYS HA H1 0.129478 0.000000 0.000000 1.300000 1.387000 1926 LYS CB CT -0.108273 -0.017845 0.126617 1.700000 1.908000 1927 LYS HB2 HC 0.045214 0.000000 0.000000 1.300000 1.487000 1928 LYS HB3 HC 0.045214 0.000000 0.000000 1.300000 1.487000 1929 LYS CG CT 0.033341 0.053757 0.129501 1.700000 1.908000 1930 LYS HG2 HC 0.010208 0.000000 0.000000 1.300000 1.487000 1931 LYS HG3 HC 0.010208 0.000000 0.000000 1.300000 1.487000 1932 LYS CD CT -0.047841 0.093589 0.316416 1.700000 1.908000 1933 LYS HD2 HC 0.070715 0.000000 0.000000 1.300000 1.487000 1934 LYS HD3 HC 0.070715 0.000000 0.000000 1.300000 1.487000 1935 LYS CE CT -0.069974 0.169070 0.895984 1.700000 1.908000 1936 LYS HE2 HP 0.119522 0.000000 0.000000 1.300000 1.100000 1937 LYS HE3 HP 0.119522 0.000000 0.000000 1.300000 1.100000 1938 LYS NZ N3 -0.250358 0.633325 0.802395 1.550000 1.824000 1939 LYS HZ1 H 0.294561 0.000000 0.000000 1.300000 0.600000 1940 LYS HZ2 H 0.294561 0.000000 0.000000 1.300000 0.600000 1941 LYS HZ3 H 0.294561 0.000000 0.000000 1.300000 0.600000 1942 LYS C C 0.725129 0.725129 0.056662 1.700000 1.908000 1943 LYS O O -0.563157 -0.563157 0.161972 1.500000 1.661200 1944 SER N N -0.541430 -0.196015 0.789431 1.550000 1.824000 1945 SER H H 0.345415 0.000000 0.000000 1.300000 0.600000 1946 SER CA CT 0.118140 0.260317 0.774886 1.700000 1.908000 1947 SER HA H1 0.142177 0.000000 0.000000 1.300000 1.387000 1948 SER CB CT 0.146998 0.227160 0.293420 1.700000 1.908000 1949 SER HB2 H1 0.040081 0.000000 0.000000 1.300000 1.387000 1950 SER HB3 H1 0.040081 0.000000 0.000000 1.300000 1.387000 1951 SER OG OH -0.640312 -0.194057 0.033103 1.500000 1.721000 1952 SER HG HO 0.446255 0.000000 0.000000 0.800000 0.000000 1953 SER C C 0.483424 0.483424 0.095726 1.700000 1.908000 1954 SER O O -0.580829 -0.580829 -0.097405 1.500000 1.661200 1955 ARG N N -0.300879 -0.067186 0.338123 1.550000 1.824000 1956 ARG H H 0.233693 0.000000 0.000000 1.300000 0.600000 1957 ARG CA CT -0.131381 -0.078115 0.677738 1.700000 1.908000 1958 ARG HA H1 0.053266 0.000000 0.000000 1.300000 1.387000 1959 ARG CB CT 0.036707 0.092731 0.032998 1.700000 1.908000 1960 ARG HB2 HC 0.028012 0.000000 0.000000 1.300000 1.487000 1961 ARG HB3 HC 0.028012 0.000000 0.000000 1.300000 1.487000 1962 ARG CG CT 0.012454 0.018382 0.373738 1.700000 1.908000 1963 ARG HG2 HC 0.002964 0.000000 0.000000 1.300000 1.487000 1964 ARG HG3 HC 0.002964 0.000000 0.000000 1.300000 1.487000 1965 ARG CD CT 0.126329 0.262625 0.142391 1.700000 1.908000 1966 ARG HD2 H1 0.068148 0.000000 0.000000 1.300000 1.387000 1967 ARG HD3 H1 0.068148 0.000000 0.000000 1.300000 1.387000 1968 ARG NE N2 -0.464890 -0.138616 0.689552 1.550000 1.824000 1969 ARG HE H 0.326274 0.000000 0.000000 1.300000 0.600000 1970 ARG CZ CA 0.565543 0.565543 0.619587 1.700000 1.908000 1971 ARG NH1 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 1972 ARG HH11 H 0.391052 0.000000 0.000000 1.300000 0.600000 1973 ARG HH12 H 0.391052 0.000000 0.000000 1.300000 0.600000 1974 ARG NH2 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 1975 ARG HH21 H 0.391052 0.000000 0.000000 1.300000 0.600000 1976 ARG HH22 H 0.391052 0.000000 0.000000 1.300000 0.600000 1977 ARG C C 0.730308 0.730308 -0.112002 1.700000 1.908000 1978 ARG O O -0.578332 -0.578332 0.151976 1.500000 1.661200 1979 TRP N N -0.427579 -0.185863 0.630992 1.550000 1.824000 1980 TRP H H 0.241716 0.000000 0.000000 1.300000 0.600000 1981 TRP CA CT -0.020082 0.086547 0.517297 1.700000 1.908000 1982 TRP HA H1 0.106629 0.000000 0.000000 1.300000 1.387000 1983 TRP CB CT -0.098364 0.032484 0.019234 1.700000 1.908000 1984 TRP HB2 HC 0.065424 0.000000 0.000000 1.300000 1.487000 1985 TRP HB3 HC 0.065424 0.000000 0.000000 1.300000 1.487000 1986 TRP CG C* -0.099797 -0.099797 0.018908 1.700000 1.908000 1987 TRP CD1 CW -0.174053 -0.003420 -0.079275 1.700000 1.908000 1988 TRP HD1 H4 0.170633 0.000000 0.000000 1.300000 1.409000 1989 TRP NE1 NA -0.298433 0.023942 0.162045 1.550000 1.824000 1990 TRP HE1 H 0.322375 0.000000 0.000000 1.300000 0.600000 1991 TRP CE2 CN 0.141523 0.141523 0.169917 1.700000 1.908000 1992 TRP CZ2 CA -0.210701 -0.085189 0.042779 1.700000 1.908000 1993 TRP HZ2 HA 0.125512 0.000000 0.000000 1.300000 1.459000 1994 TRP CH2 CA -0.133022 -0.013555 -0.143548 1.700000 1.908000 1995 TRP HH2 HA 0.119467 0.000000 0.000000 1.300000 1.459000 1996 TRP CZ3 CA -0.164054 -0.044804 -0.089267 1.700000 1.908000 1997 TRP HZ3 HA 0.119250 0.000000 0.000000 1.300000 1.459000 1998 TRP CE3 CA -0.153992 -0.030908 0.013929 1.700000 1.908000 1999 TRP HE3 HA 0.123084 0.000000 0.000000 1.300000 1.459000 2000 TRP CD2 CB 0.089641 0.089641 0.100459 1.700000 1.908000 2001 TRP C C 0.584129 0.584129 -0.048093 1.700000 1.908000 2002 TRP O O -0.494730 -0.494730 0.089399 1.500000 1.661200 2003 TYR N N -0.487560 -0.224039 0.465205 1.550000 1.824000 2004 TYR H H 0.263521 0.000000 0.000000 1.300000 0.600000 2005 TYR CA CT 0.009614 0.105115 0.489803 1.700000 1.908000 2006 TYR HA H1 0.095501 0.000000 0.000000 1.300000 1.387000 2007 TYR CB CT -0.051853 -0.013563 0.204153 1.700000 1.908000 2008 TYR HB2 HC 0.019145 0.000000 0.000000 1.300000 1.487000 2009 TYR HB3 HC 0.019145 0.000000 0.000000 1.300000 1.487000 2010 TYR CG CA 0.112601 0.112601 -0.002454 1.700000 1.908000 2011 TYR CD1 CA -0.183461 -0.050746 0.017335 1.700000 1.908000 2012 TYR HD1 HA 0.132715 0.000000 0.000000 1.300000 1.459000 2013 TYR CE1 CA -0.181823 -0.044520 0.111011 1.700000 1.908000 2014 TYR HE1 HA 0.137303 0.000000 0.000000 1.300000 1.459000 2015 TYR CZ C 0.206277 0.206277 0.025695 1.700000 1.908000 2016 TYR OH OH -0.421233 -0.091542 0.114735 1.500000 1.721000 2017 TYR HH HO 0.329691 0.000000 0.000000 0.800000 0.000000 2018 TYR CE2 CA -0.181823 -0.044520 0.111011 1.700000 1.908000 2019 TYR HE2 HA 0.137303 0.000000 0.000000 1.300000 1.459000 2020 TYR CD2 CA -0.183461 -0.050746 0.017335 1.700000 1.908000 2021 TYR HD2 HA 0.132715 0.000000 0.000000 1.300000 1.459000 2022 TYR C C 0.622290 0.622290 0.025235 1.700000 1.908000 2023 TYR O O -0.526607 -0.526607 0.095683 1.500000 1.661200 2024 ASN N N -0.430106 -0.175563 0.550937 1.550000 1.824000 2025 ASN H H 0.254543 0.000000 0.000000 1.300000 0.600000 2026 ASN CA CT 0.044609 0.104210 0.538780 1.700000 1.908000 2027 ASN HA H1 0.059601 0.000000 0.000000 1.300000 1.387000 2028 ASN CB CT -0.093650 -0.007008 0.680721 1.700000 1.908000 2029 ASN HB2 HC 0.043321 0.000000 0.000000 1.300000 1.487000 2030 ASN HB3 HC 0.043321 0.000000 0.000000 1.300000 1.487000 2031 ASN CG C 0.583519 0.583519 -0.021879 1.700000 1.908000 2032 ASN OD1 O -0.526813 -0.526813 0.056706 1.500000 1.661200 2033 ASN ND2 N -0.781735 -0.071577 0.511942 1.550000 1.824000 2034 ASN HD21 H 0.355079 0.000000 0.000000 1.300000 0.600000 2035 ASN HD22 H 0.355079 0.000000 0.000000 1.300000 0.600000 2036 ASN C C 0.617141 0.617141 0.110694 1.700000 1.908000 2037 ASN O O -0.523909 -0.523909 0.093232 1.500000 1.661200 2038 GLN N N -0.387353 -0.086748 0.720118 1.550000 1.824000 2039 GLN H H 0.300605 0.000000 0.000000 1.300000 0.600000 2040 GLN CA CT 0.037470 0.189725 0.551432 1.700000 1.908000 2041 GLN HA H1 0.152255 0.000000 0.000000 1.300000 1.387000 2042 GLN CB CT -0.032112 0.029878 0.260921 1.700000 1.908000 2043 GLN HB2 HC 0.030995 0.000000 0.000000 1.300000 1.487000 2044 GLN HB3 HC 0.030995 0.000000 0.000000 1.300000 1.487000 2045 GLN CG CT -0.020264 0.041318 0.739008 1.700000 1.908000 2046 GLN HG2 HC 0.030791 0.000000 0.000000 1.300000 1.487000 2047 GLN HG3 HC 0.030791 0.000000 0.000000 1.300000 1.487000 2048 GLN CD C 0.667812 0.667812 0.013878 1.700000 1.908000 2049 GLN OE1 O -0.628483 -0.628483 0.039329 1.500000 1.661200 2050 GLN NE2 N -0.883393 -0.066769 0.601043 1.550000 1.824000 2051 GLN HE21 H 0.408312 0.000000 0.000000 1.300000 0.600000 2052 GLN HE22 H 0.408312 0.000000 0.000000 1.300000 0.600000 2053 GLN C C 0.418577 0.418577 -0.045124 1.700000 1.908000 2054 GLN O O -0.565310 -0.565310 -0.146733 1.500000 1.661200 2055 PRO N N -0.088116 -0.088116 0.431856 1.550000 1.824000 2056 PRO CD CT -0.011905 0.075995 0.040086 1.700000 1.908000 2057 PRO HD2 H1 0.043950 0.000000 0.000000 1.300000 1.387000 2058 PRO HD3 H1 0.043950 0.000000 0.000000 1.300000 1.387000 2059 PRO CG CT 0.013059 0.052207 0.163555 1.700000 1.908000 2060 PRO HG2 HC 0.019574 0.000000 0.000000 1.300000 1.487000 2061 PRO HG3 HC 0.019574 0.000000 0.000000 1.300000 1.487000 2062 PRO CB CT -0.003351 0.035353 0.112960 1.700000 1.908000 2063 PRO HB2 HC 0.019352 0.000000 0.000000 1.300000 1.487000 2064 PRO HB3 HC 0.019352 0.000000 0.000000 1.300000 1.487000 2065 PRO CA CT -0.034577 0.025400 0.306357 1.700000 1.908000 2066 PRO HA H1 0.059977 0.000000 0.000000 1.300000 1.387000 2067 PRO C C 0.333720 0.333720 -0.251002 1.700000 1.908000 2068 PRO O O -0.434559 -0.434559 -0.100839 1.500000 1.661200 2069 ASN N N -0.430106 -0.175563 0.262367 1.550000 1.824000 2070 ASN H H 0.254543 0.000000 0.000000 1.300000 0.600000 2071 ASN CA CT 0.044609 0.104210 0.538780 1.700000 1.908000 2072 ASN HA H1 0.059601 0.000000 0.000000 1.300000 1.387000 2073 ASN CB CT -0.093650 -0.007008 0.680721 1.700000 1.908000 2074 ASN HB2 HC 0.043321 0.000000 0.000000 1.300000 1.487000 2075 ASN HB3 HC 0.043321 0.000000 0.000000 1.300000 1.487000 2076 ASN CG C 0.583519 0.583519 -0.021879 1.700000 1.908000 2077 ASN OD1 O -0.526813 -0.526813 0.056706 1.500000 1.661200 2078 ASN ND2 N -0.781735 -0.071577 0.511942 1.550000 1.824000 2079 ASN HD21 H 0.355079 0.000000 0.000000 1.300000 0.600000 2080 ASN HD22 H 0.355079 0.000000 0.000000 1.300000 0.600000 2081 ASN C C 0.617141 0.617141 0.130256 1.700000 1.908000 2082 ASN O O -0.523909 -0.523909 0.093232 1.500000 1.661200 2083 ARG N N -0.300879 -0.067186 0.471840 1.550000 1.824000 2084 ARG H H 0.233693 0.000000 0.000000 1.300000 0.600000 2085 ARG CA CT -0.131381 -0.078115 0.677738 1.700000 1.908000 2086 ARG HA H1 0.053266 0.000000 0.000000 1.300000 1.387000 2087 ARG CB CT 0.036707 0.092731 0.032998 1.700000 1.908000 2088 ARG HB2 HC 0.028012 0.000000 0.000000 1.300000 1.487000 2089 ARG HB3 HC 0.028012 0.000000 0.000000 1.300000 1.487000 2090 ARG CG CT 0.012454 0.018382 0.373738 1.700000 1.908000 2091 ARG HG2 HC 0.002964 0.000000 0.000000 1.300000 1.487000 2092 ARG HG3 HC 0.002964 0.000000 0.000000 1.300000 1.487000 2093 ARG CD CT 0.126329 0.262625 0.142391 1.700000 1.908000 2094 ARG HD2 H1 0.068148 0.000000 0.000000 1.300000 1.387000 2095 ARG HD3 H1 0.068148 0.000000 0.000000 1.300000 1.387000 2096 ARG NE N2 -0.464890 -0.138616 0.689552 1.550000 1.824000 2097 ARG HE H 0.326274 0.000000 0.000000 1.300000 0.600000 2098 ARG CZ CA 0.565543 0.565543 0.619587 1.700000 1.908000 2099 ARG NH1 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 2100 ARG HH11 H 0.391052 0.000000 0.000000 1.300000 0.600000 2101 ARG HH12 H 0.391052 0.000000 0.000000 1.300000 0.600000 2102 ARG NH2 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 2103 ARG HH21 H 0.391052 0.000000 0.000000 1.300000 0.600000 2104 ARG HH22 H 0.391052 0.000000 0.000000 1.300000 0.600000 2105 ARG C C 0.730308 0.730308 -0.036636 1.700000 1.908000 2106 ARG O O -0.578332 -0.578332 0.151976 1.500000 1.661200 2107 ALA N N -0.404773 -0.110497 0.712880 1.550000 1.824000 2108 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 2109 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 2110 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 2111 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 2112 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 2113 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 2114 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 2115 ALA C C 0.570224 0.570224 -0.076409 1.700000 1.908000 2116 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 2117 LYS N N -0.435875 -0.184573 0.476356 1.550000 1.824000 2118 LYS H H 0.251302 0.000000 0.000000 1.300000 0.600000 2119 LYS CA CT -0.038773 0.090705 0.613416 1.700000 1.908000 2120 LYS HA H1 0.129478 0.000000 0.000000 1.300000 1.387000 2121 LYS CB CT -0.108273 -0.017845 0.126617 1.700000 1.908000 2122 LYS HB2 HC 0.045214 0.000000 0.000000 1.300000 1.487000 2123 LYS HB3 HC 0.045214 0.000000 0.000000 1.300000 1.487000 2124 LYS CG CT 0.033341 0.053757 0.129501 1.700000 1.908000 2125 LYS HG2 HC 0.010208 0.000000 0.000000 1.300000 1.487000 2126 LYS HG3 HC 0.010208 0.000000 0.000000 1.300000 1.487000 2127 LYS CD CT -0.047841 0.093589 0.316416 1.700000 1.908000 2128 LYS HD2 HC 0.070715 0.000000 0.000000 1.300000 1.487000 2129 LYS HD3 HC 0.070715 0.000000 0.000000 1.300000 1.487000 2130 LYS CE CT -0.069974 0.169070 0.895984 1.700000 1.908000 2131 LYS HE2 HP 0.119522 0.000000 0.000000 1.300000 1.100000 2132 LYS HE3 HP 0.119522 0.000000 0.000000 1.300000 1.100000 2133 LYS NZ N3 -0.250358 0.633325 0.802395 1.550000 1.824000 2134 LYS HZ1 H 0.294561 0.000000 0.000000 1.300000 0.600000 2135 LYS HZ2 H 0.294561 0.000000 0.000000 1.300000 0.600000 2136 LYS HZ3 H 0.294561 0.000000 0.000000 1.300000 0.600000 2137 LYS C C 0.725129 0.725129 0.185491 1.700000 1.908000 2138 LYS O O -0.563157 -0.563157 0.161972 1.500000 1.661200 2139 ARG N N -0.300879 -0.067186 0.579828 1.550000 1.824000 2140 ARG H H 0.233693 0.000000 0.000000 1.300000 0.600000 2141 ARG CA CT -0.131381 -0.078115 0.677738 1.700000 1.908000 2142 ARG HA H1 0.053266 0.000000 0.000000 1.300000 1.387000 2143 ARG CB CT 0.036707 0.092731 0.032998 1.700000 1.908000 2144 ARG HB2 HC 0.028012 0.000000 0.000000 1.300000 1.487000 2145 ARG HB3 HC 0.028012 0.000000 0.000000 1.300000 1.487000 2146 ARG CG CT 0.012454 0.018382 0.373738 1.700000 1.908000 2147 ARG HG2 HC 0.002964 0.000000 0.000000 1.300000 1.487000 2148 ARG HG3 HC 0.002964 0.000000 0.000000 1.300000 1.487000 2149 ARG CD CT 0.126329 0.262625 0.142391 1.700000 1.908000 2150 ARG HD2 H1 0.068148 0.000000 0.000000 1.300000 1.387000 2151 ARG HD3 H1 0.068148 0.000000 0.000000 1.300000 1.387000 2152 ARG NE N2 -0.464890 -0.138616 0.689552 1.550000 1.824000 2153 ARG HE H 0.326274 0.000000 0.000000 1.300000 0.600000 2154 ARG CZ CA 0.565543 0.565543 0.619587 1.700000 1.908000 2155 ARG NH1 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 2156 ARG HH11 H 0.391052 0.000000 0.000000 1.300000 0.600000 2157 ARG HH12 H 0.391052 0.000000 0.000000 1.300000 0.600000 2158 ARG NH2 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 2159 ARG HH21 H 0.391052 0.000000 0.000000 1.300000 0.600000 2160 ARG HH22 H 0.391052 0.000000 0.000000 1.300000 0.600000 2161 ARG C C 0.730308 0.730308 0.063822 1.700000 1.908000 2162 ARG O O -0.578332 -0.578332 0.151976 1.500000 1.661200 2163 VAL N N -0.450087 -0.010039 0.642207 1.550000 1.824000 2164 VAL H H 0.440048 0.000000 0.000000 1.300000 0.600000 2165 VAL CA CT -0.051858 -0.078062 0.638803 1.700000 1.908000 2166 VAL HA H1 -0.026204 0.000000 0.000000 1.300000 1.387000 2167 VAL CB CT 0.395217 0.279545 -0.032691 1.700000 1.908000 2168 VAL HB HC -0.115672 0.000000 0.000000 1.300000 1.487000 2169 VAL CG1 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 2170 VAL HG11 HC -0.008985 0.000000 0.000000 1.300000 1.487000 2171 VAL HG12 HC -0.008985 0.000000 0.000000 1.300000 1.487000 2172 VAL HG13 HC -0.008985 0.000000 0.000000 1.300000 1.487000 2173 VAL CG2 CT -0.090132 -0.117087 0.162458 1.700000 1.908000 2174 VAL HG21 HC -0.008985 0.000000 0.000000 1.300000 1.487000 2175 VAL HG22 HC -0.008985 0.000000 0.000000 1.300000 1.487000 2176 VAL HG23 HC -0.008985 0.000000 0.000000 1.300000 1.487000 2177 VAL C C 0.447359 0.447359 -0.157548 1.700000 1.908000 2178 VAL O O -0.404629 -0.404629 0.042730 1.500000 1.661200 2179 ILE N N -0.451047 -0.122216 0.397462 1.550000 1.824000 2180 ILE H H 0.328831 0.000000 0.000000 1.300000 0.600000 2181 ILE CA CT -0.101874 0.072319 0.643386 1.700000 1.908000 2182 ILE HA H1 0.174193 0.000000 0.000000 1.300000 1.387000 2183 ILE CB CT 0.062238 0.123900 0.202243 1.700000 1.908000 2184 ILE HB HC 0.061662 0.000000 0.000000 1.300000 1.487000 2185 ILE CG2 CT -0.129989 -0.039308 0.084592 1.700000 1.908000 2186 ILE HG21 HC 0.030227 0.000000 0.000000 1.300000 1.487000 2187 ILE HG22 HC 0.030227 0.000000 0.000000 1.300000 1.487000 2188 ILE HG23 HC 0.030227 0.000000 0.000000 1.300000 1.487000 2189 ILE CG1 CT 0.022230 0.045332 0.139357 1.700000 1.908000 2190 ILE HG12 HC 0.011551 0.000000 0.000000 1.300000 1.487000 2191 ILE HG13 HC 0.011551 0.000000 0.000000 1.300000 1.487000 2192 ILE CD1 CT -0.101251 -0.029875 0.015457 1.700000 1.908000 2193 ILE HD11 HC 0.023792 0.000000 0.000000 1.300000 1.487000 2194 ILE HD12 HC 0.023792 0.000000 0.000000 1.300000 1.487000 2195 ILE HD13 HC 0.023792 0.000000 0.000000 1.300000 1.487000 2196 ILE C C 0.569383 0.569383 -0.045019 1.700000 1.908000 2197 ILE O O -0.619535 -0.619535 -0.050152 1.500000 1.661200 2198 ARG N N -0.300879 -0.067186 0.424082 1.550000 1.824000 2199 ARG H H 0.233693 0.000000 0.000000 1.300000 0.600000 2200 ARG CA CT -0.131381 -0.078115 0.677738 1.700000 1.908000 2201 ARG HA H1 0.053266 0.000000 0.000000 1.300000 1.387000 2202 ARG CB CT 0.036707 0.092731 0.032998 1.700000 1.908000 2203 ARG HB2 HC 0.028012 0.000000 0.000000 1.300000 1.487000 2204 ARG HB3 HC 0.028012 0.000000 0.000000 1.300000 1.487000 2205 ARG CG CT 0.012454 0.018382 0.373738 1.700000 1.908000 2206 ARG HG2 HC 0.002964 0.000000 0.000000 1.300000 1.487000 2207 ARG HG3 HC 0.002964 0.000000 0.000000 1.300000 1.487000 2208 ARG CD CT 0.126329 0.262625 0.142391 1.700000 1.908000 2209 ARG HD2 H1 0.068148 0.000000 0.000000 1.300000 1.387000 2210 ARG HD3 H1 0.068148 0.000000 0.000000 1.300000 1.387000 2211 ARG NE N2 -0.464890 -0.138616 0.689552 1.550000 1.824000 2212 ARG HE H 0.326274 0.000000 0.000000 1.300000 0.600000 2213 ARG CZ CA 0.565543 0.565543 0.619587 1.700000 1.908000 2214 ARG NH1 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 2215 ARG HH11 H 0.391052 0.000000 0.000000 1.300000 0.600000 2216 ARG HH12 H 0.391052 0.000000 0.000000 1.300000 0.600000 2217 ARG NH2 N2 -0.685774 0.096330 0.661873 1.550000 1.824000 2218 ARG HH21 H 0.391052 0.000000 0.000000 1.300000 0.600000 2219 ARG HH22 H 0.391052 0.000000 0.000000 1.300000 0.600000 2220 ARG C C 0.730308 0.730308 -0.046440 1.700000 1.908000 2221 ARG O O -0.578332 -0.578332 0.151976 1.500000 1.661200 2222 GLY N N -0.374282 -0.120301 0.658881 1.550000 1.824000 2223 GLY H H 0.253981 0.000000 0.000000 1.300000 0.600000 2224 GLY CA CT -0.128844 0.048874 0.509157 1.700000 1.908000 2225 GLY HA2 H0 0.088859 0.000000 0.000000 1.300000 1.387000 2226 GLY HA3 H0 0.088859 0.000000 0.000000 1.300000 1.387000 2227 GLY C C 0.580584 0.580584 -0.065562 1.700000 1.908000 2228 GLY O O -0.509157 -0.509157 0.071427 1.500000 1.661200 2229 TRP N N -0.427579 -0.185863 0.481268 1.550000 1.824000 2230 TRP H H 0.241716 0.000000 0.000000 1.300000 0.600000 2231 TRP CA CT -0.020082 0.086547 0.517297 1.700000 1.908000 2232 TRP HA H1 0.106629 0.000000 0.000000 1.300000 1.387000 2233 TRP CB CT -0.098364 0.032484 0.019234 1.700000 1.908000 2234 TRP HB2 HC 0.065424 0.000000 0.000000 1.300000 1.487000 2235 TRP HB3 HC 0.065424 0.000000 0.000000 1.300000 1.487000 2236 TRP CG C* -0.099797 -0.099797 0.018908 1.700000 1.908000 2237 TRP CD1 CW -0.174053 -0.003420 -0.079275 1.700000 1.908000 2238 TRP HD1 H4 0.170633 0.000000 0.000000 1.300000 1.409000 2239 TRP NE1 NA -0.298433 0.023942 0.162045 1.550000 1.824000 2240 TRP HE1 H 0.322375 0.000000 0.000000 1.300000 0.600000 2241 TRP CE2 CN 0.141523 0.141523 0.169917 1.700000 1.908000 2242 TRP CZ2 CA -0.210701 -0.085189 0.042779 1.700000 1.908000 2243 TRP HZ2 HA 0.125512 0.000000 0.000000 1.300000 1.459000 2244 TRP CH2 CA -0.133022 -0.013555 -0.143548 1.700000 1.908000 2245 TRP HH2 HA 0.119467 0.000000 0.000000 1.300000 1.459000 2246 TRP CZ3 CA -0.164054 -0.044804 -0.089267 1.700000 1.908000 2247 TRP HZ3 HA 0.119250 0.000000 0.000000 1.300000 1.459000 2248 TRP CE3 CA -0.153992 -0.030908 0.013929 1.700000 1.908000 2249 TRP HE3 HA 0.123084 0.000000 0.000000 1.300000 1.459000 2250 TRP CD2 CB 0.089641 0.089641 0.100459 1.700000 1.908000 2251 TRP C C 0.584129 0.584129 -0.062579 1.700000 1.908000 2252 TRP O O -0.494730 -0.494730 0.089399 1.500000 1.661200 2253 ASP N N -0.558201 -0.238525 0.435204 1.550000 1.824000 2254 ASP H H 0.319676 0.000000 0.000000 1.300000 0.600000 2255 ASP CA CT 0.007225 0.089600 0.217047 1.700000 1.908000 2256 ASP HA H1 0.082375 0.000000 0.000000 1.300000 1.387000 2257 ASP CB CT -0.047555 -0.077227 0.757541 1.700000 1.908000 2258 ASP HB2 HC -0.014836 0.000000 0.000000 1.300000 1.487000 2259 ASP HB3 HC -0.014836 0.000000 0.000000 1.300000 1.487000 2260 ASP CG C 0.745168 0.745168 -0.792829 1.700000 1.908000 2261 ASP OD1 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 2262 ASP OD2 O2 -0.730385 -0.730385 0.014783 1.500000 1.661200 2263 ASP C C 0.443199 0.443199 -0.079143 1.700000 1.908000 2264 ASP O O -0.501445 -0.501445 -0.058246 1.500000 1.661200 2265 ALA N N -0.404773 -0.110497 0.425771 1.550000 1.824000 2266 ALA H H 0.294276 0.000000 0.000000 1.300000 0.600000 2267 ALA CA CT -0.027733 0.093069 0.555129 1.700000 1.908000 2268 ALA HA H1 0.120802 0.000000 0.000000 1.300000 1.387000 2269 ALA CB CT -0.229951 0.002333 0.095402 1.700000 1.908000 2270 ALA HB1 HC 0.077428 0.000000 0.000000 1.300000 1.487000 2271 ALA HB2 HC 0.077428 0.000000 0.000000 1.300000 1.487000 2272 ALA HB3 HC 0.077428 0.000000 0.000000 1.300000 1.487000 2273 ALA C C 0.570224 0.570224 -0.115875 1.700000 1.908000 2274 ALA O O -0.555129 -0.555129 0.015095 1.500000 1.661200 2275 TYR N N -0.487560 -0.224039 0.451300 1.550000 1.824000 2276 TYR H H 0.263521 0.000000 0.000000 1.300000 0.600000 2277 TYR CA CT 0.009614 0.105115 0.489803 1.700000 1.908000 2278 TYR HA H1 0.095501 0.000000 0.000000 1.300000 1.387000 2279 TYR CB CT -0.051853 -0.013563 0.204153 1.700000 1.908000 2280 TYR HB2 HC 0.019145 0.000000 0.000000 1.300000 1.487000 2281 TYR HB3 HC 0.019145 0.000000 0.000000 1.300000 1.487000 2282 TYR CG CA 0.112601 0.112601 -0.002454 1.700000 1.908000 2283 TYR CD1 CA -0.183461 -0.050746 0.017335 1.700000 1.908000 2284 TYR HD1 HA 0.132715 0.000000 0.000000 1.300000 1.459000 2285 TYR CE1 CA -0.181823 -0.044520 0.111011 1.700000 1.908000 2286 TYR HE1 HA 0.137303 0.000000 0.000000 1.300000 1.459000 2287 TYR CZ C 0.206277 0.206277 0.025695 1.700000 1.908000 2288 TYR OH OH -0.421233 -0.091542 0.114735 1.500000 1.721000 2289 TYR HH HO 0.329691 0.000000 0.000000 0.800000 0.000000 2290 TYR CE2 CA -0.181823 -0.044520 0.111011 1.700000 1.908000 2291 TYR HE2 HA 0.137303 0.000000 0.000000 1.300000 1.459000 2292 TYR CD2 CA -0.183461 -0.050746 0.017335 1.700000 1.908000 2293 TYR HD2 HA 0.132715 0.000000 0.000000 1.300000 1.459000 2294 TYR C C 0.622290 0.622290 -0.071311 1.700000 1.908000 2295 TYR O O -0.526607 -0.526607 0.095683 1.500000 1.661200 2296 LYS N N -0.629569 -0.272109 0.435184 1.550000 1.824000 2297 LYS H H 0.357460 0.000000 0.000000 1.300000 0.600000 2298 LYS CA CT -0.053541 0.085003 0.394514 1.700000 1.908000 2299 LYS HA H1 0.138544 0.000000 0.000000 1.300000 1.387000 2300 LYS CB CT -0.046022 0.039802 0.166978 1.700000 1.908000 2301 LYS HB2 HC 0.042912 0.000000 0.000000 1.300000 1.487000 2302 LYS HB3 HC 0.042912 0.000000 0.000000 1.300000 1.487000 2303 LYS CG CT 0.020231 0.042173 0.158684 1.700000 1.908000 2304 LYS HG2 HC 0.010971 0.000000 0.000000 1.300000 1.487000 2305 LYS HG3 HC 0.010971 0.000000 0.000000 1.300000 1.487000 2306 LYS CD CT -0.046165 0.076709 0.289418 1.700000 1.908000 2307 LYS HD2 HC 0.061437 0.000000 0.000000 1.300000 1.487000 2308 LYS HD3 HC 0.061437 0.000000 0.000000 1.300000 1.487000 2309 LYS CE CT -0.032772 0.170536 0.935131 1.700000 1.908000 2310 LYS HE2 HP 0.101654 0.000000 0.000000 1.300000 1.100000 2311 LYS HE3 HP 0.101654 0.000000 0.000000 1.300000 1.100000 2312 LYS NZ N3 -0.168623 0.687886 0.858422 1.550000 1.824000 2313 LYS HZ1 H 0.285503 0.000000 0.000000 1.300000 0.600000 2314 LYS HZ2 H 0.285503 0.000000 0.000000 1.300000 0.600000 2315 LYS HZ3 H 0.285503 0.000000 0.000000 1.300000 0.600000 2316 LYS C C 0.541818 0.541818 -0.744997 1.700000 1.908000 2317 LYS O O2 -0.685909 -0.685909 -0.144091 1.500000 1.661200 2318 LYS OXT O2 -0.685909 -0.685909 -0.144091 1.500000 1.661200 2319 BNZ C1 ca -0.130521 0.000000 0.000000 1.700000 1.908000 2320 BNZ H1 ha 0.130521 0.130521 0.130521 1.300000 1.459000 2321 BNZ C2 ca -0.130521 0.000000 0.000000 1.700000 1.908000 2322 BNZ H2 ha 0.130521 0.130521 0.130521 1.300000 1.459000 2323 BNZ C3 ca -0.130521 0.000000 0.000000 1.700000 1.908000 2324 BNZ H3 ha 0.130521 0.130521 0.130521 1.300000 1.459000 2325 BNZ C4 ca -0.130521 0.000000 0.000000 1.700000 1.908000 2326 BNZ H4 ha 0.130521 0.130521 0.130521 1.300000 1.459000 2327 BNZ C5 ca -0.130521 0.000000 0.000000 1.700000 1.908000 2328 BNZ H5 ha 0.130521 0.130521 0.130521 1.300000 1.459000 2329 BNZ C6 ca -0.130521 0.000000 0.000000 1.700000 1.908000 2330 BNZ H6 ha 0.130521 0.130521 0.130521 1.300000 1.459000 total system charges (+/-) for PB 8.0000 270.9650 -262.9650 cavity_surften = 0.0378 cavity_offset = -0.5692 SAS Surface: surface dots generated: 366 -------------------------------------------------------------------------------- 3. ATOMIC COORDINATES AND VELOCITIES -------------------------------------------------------------------------------- t4_bnz 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 428450 Bounding box identified for live atoms: Xmin, Xmax, Xmax-Xmin: -8.875 -2.948 5.927 Ymin, Ymax, Ymax-Ymin: -11.115 -4.756 6.359 Zmin, Zmax, Zmax-Zmin: -10.646 -3.309 7.337 ------- VMD goodie -------- #liveflag boundary Box draw materials off draw color white draw line " -8.875 -11.115 -10.646" " -2.948 -11.115 -10.646" draw line " -8.875 -11.115 -10.646" " -8.875 -4.756 -10.646" draw line " -8.875 -11.115 -10.646" " -8.875 -11.115 -3.309" draw line " -2.948 -11.115 -10.646" " -2.948 -4.756 -10.646" draw line " -2.948 -11.115 -10.646" " -2.948 -11.115 -3.309" draw line " -8.875 -4.756 -10.646" " -2.948 -4.756 -10.646" draw line " -8.875 -4.756 -10.646" " -8.875 -4.756 -3.309" draw line " -8.875 -11.115 -3.309" " -2.948 -11.115 -3.309" draw line " -8.875 -11.115 -3.309" " -8.875 -4.756 -3.309" draw line " -2.948 -4.756 -3.309" " -2.948 -4.756 -10.646" draw line " -2.948 -4.756 -3.309" " -8.875 -4.756 -3.309" draw line " -2.948 -4.756 -3.309" " -2.948 -11.115 -3.309" --- End VMD goodie -------- Corrected bounding box identified for real atoms: Xmin, Xmax, Xmax-Xmin: -13.500 1.500 15.000 Ymin, Ymax, Ymax-Ymin: -15.500 -0.500 15.000 Zmin, Zmax, Zmax-Zmin: -15.000 1.000 16.000 Corrected bounding box identified for outside atoms: Xmin, Xmax, Xmax-Xmin: -18.100 6.100 24.200 Ymin, Ymax, Ymax-Ymin: -20.100 4.100 24.200 Zmin, Zmax, Zmax-Zmin: -19.600 5.600 25.200 ------- VMD goodie -------- #realflag boundary Box draw materials off draw color red draw line " -13.500 -15.500 -15.000" " 1.500 -15.500 -15.000" draw line " -13.500 -15.500 -15.000" " -13.500 -0.500 -15.000" draw line " -13.500 -15.500 -15.000" " -13.500 -15.500 1.000" draw line " 1.500 -15.500 -15.000" " 1.500 -0.500 -15.000" draw line " 1.500 -15.500 -15.000" " 1.500 -15.500 1.000" draw line " -13.500 -0.500 -15.000" " 1.500 -0.500 -15.000" draw line " -13.500 -0.500 -15.000" " -13.500 -0.500 1.000" draw line " -13.500 -15.500 1.000" " 1.500 -15.500 1.000" draw line " -13.500 -15.500 1.000" " -13.500 -0.500 1.000" draw line " 1.500 -0.500 1.000" " 1.500 -0.500 -15.000" draw line " 1.500 -0.500 1.000" " -13.500 -0.500 1.000" draw line " 1.500 -0.500 1.000" " 1.500 -15.500 1.000" #outflag boundary Box draw color yellow draw line " -18.100 -20.100 -19.600" " 6.100 -20.100 -19.600" draw line " -18.100 -20.100 -19.600" " -18.100 4.100 -19.600" draw line " -18.100 -20.100 -19.600" " -18.100 -20.100 5.600" draw line " 6.100 -20.100 -19.600" " 6.100 4.100 -19.600" draw line " 6.100 -20.100 -19.600" " 6.100 -20.100 5.600" draw line " -18.100 4.100 -19.600" " 6.100 4.100 -19.600" draw line " -18.100 4.100 -19.600" " -18.100 4.100 5.600" draw line " -18.100 -20.100 5.600" " 6.100 -20.100 5.600" draw line " -18.100 -20.100 5.600" " -18.100 4.100 5.600" draw line " 6.100 4.100 5.600" " 6.100 4.100 -19.600" draw line " 6.100 4.100 5.600" " -18.100 4.100 5.600" draw line " 6.100 4.100 5.600" " 6.100 -20.100 5.600" --- End VMD goodie -------- ======== Setting up Grid Parameters ======== Using bounding box for grid setup Bounding Box at level: 2 Bounding Box Center: -6.000 -8.000 -7.000 Xmin, Xmax, Xmax-Xmin: -8.875 -2.948 5.927 Ymin, Ymax, Ymax-Ymin: -11.115 -4.756 6.359 Zmin, Zmax, Zmax-Zmin: -10.646 -3.309 7.337 beginning box center at level 2 -6.000 -8.000 -7.000 Grid dimension at level 2 31 31 33 Grid origin corrected at level 2 -14.000 -16.000 -15.500 Bounding Box at level: 1 Bounding Box Center: 0.000 0.000 -0.500 Xmin, Xmax, Xmax-Xmin: -20.857 20.644 41.501 Ymin, Ymax, Ymax-Ymin: -23.158 23.258 46.415 Zmin, Zmax, Zmax-Zmin: -26.140 25.495 51.634 beginning box center at level 1 0.000 0.000 -0.500 Grid dimension at level 1 23 25 27 Grid origin corrected at level 1 -48.000 -52.000 -56.500 ------- VMD goodie -------- #First Level Geometric Box draw materials off draw color green draw line " -48.000 -52.000 -56.500" " 44.000 -52.000 -56.500" draw line " -48.000 -52.000 -56.500" " -48.000 48.000 -56.500" draw line " -48.000 -52.000 -56.500" " -48.000 -52.000 51.500" draw line " 44.000 -52.000 -56.500" " 44.000 48.000 -56.500" draw line " 44.000 -52.000 -56.500" " 44.000 -52.000 51.500" draw line " -48.000 48.000 -56.500" " 44.000 48.000 -56.500" draw line " -48.000 48.000 -56.500" " -48.000 48.000 51.500" draw line " -48.000 -52.000 51.500" " 44.000 -52.000 51.500" draw line " -48.000 -52.000 51.500" " -48.000 48.000 51.500" draw line " 44.000 48.000 51.500" " 44.000 48.000 -56.500" draw line " 44.000 48.000 51.500" " -48.000 48.000 51.500" draw line " 44.000 48.000 51.500" " 44.000 -52.000 51.500" #2nd Level Geometric Box draw color blue draw line " -14.000 -16.000 -15.500" " 2.000 -16.000 -15.500" draw line " -14.000 -16.000 -15.500" " -14.000 0.000 -15.500" draw line " -14.000 -16.000 -15.500" " -14.000 -16.000 1.500" draw line " 2.000 -16.000 -15.500" " 2.000 0.000 -15.500" draw line " 2.000 -16.000 -15.500" " 2.000 -16.000 1.500" draw line " -14.000 0.000 -15.500" " 2.000 0.000 -15.500" draw line " -14.000 0.000 -15.500" " -14.000 0.000 1.500" draw line " -14.000 -16.000 1.500" " 2.000 -16.000 1.500" draw line " -14.000 -16.000 1.500" " -14.000 0.000 1.500" draw line " 2.000 0.000 1.500" " 2.000 0.000 -15.500" draw line " 2.000 0.000 1.500" " -14.000 0.000 1.500" draw line " 2.000 0.000 1.500" " 2.000 -16.000 1.500" --- End VMD goodie -------- ======== Setting up Solvent Accessibility Data ======== Setting up working radii Number of SA srf points exposed 35499 Atomic solvent accessible surface area: 1 0.2987946455504 2 20.7746826984435 3 16.2693298240822 4 18.2717088793539 5 0.0000000000000 6 1.0011895276358 7 0.0000000000000 8 5.0059476381791 9 11.2633821859031 10 0.0000000000000 11 0.0000000000000 12 0.0000000000000 13 2.1095022146072 14 0.9898591934753 15 0.0000000000000 16 9.2610031306314 17 9.2610031306314 18 0.3299530644918 19 23.1001479490187 20 0.0000000000000 21 0.0000000000000 22 0.0000000000000 23 14.7675455326285 24 0.0000000000000 25 15.5184376783554 26 11.2633821859031 27 0.0000000000000 28 0.0000000000000 29 4.1831250377061 30 5.7568397839060 31 29.0344963014391 32 0.3299530644918 33 0.0000000000000 34 0.2987946455504 35 1.0011895276358 36 0.0000000000000 37 0.0000000000000 38 0.0000000000000 39 13.7663560049927 40 2.3096714514425 41 11.7639769497210 42 15.2681402964464 43 12.2645717135389 44 0.0000000000000 45 0.5005947638179 46 0.0000000000000 47 0.0000000000000 48 0.2502973819090 49 0.0000000000000 50 0.0000000000000 51 0.0000000000000 52 0.0000000000000 53 0.0000000000000 54 0.0000000000000 55 0.0000000000000 56 2.7532712009985 57 0.0000000000000 58 1.2514869095448 59 3.5041633467254 60 0.3299530644918 61 15.2681402964464 62 6.0071371658150 63 5.6092020963603 64 38.1152441158809 65 18.4801183592150 66 0.0000000000000 67 0.0000000000000 68 0.0000000000000 69 0.0000000000000 70 0.0000000000000 71 0.0000000000000 72 0.0000000000000 73 0.0000000000000 74 0.0000000000000 75 0.0000000000000 76 0.0000000000000 77 0.0000000000000 78 0.0000000000000 79 0.0000000000000 80 0.0000000000000 81 0.0000000000000 82 0.0000000000000 83 0.0000000000000 84 0.0000000000000 85 0.0000000000000 86 0.0000000000000 87 0.0000000000000 88 0.0000000000000 89 0.0000000000000 90 7.7592188391777 91 3.0035685829075 92 0.0000000000000 93 0.0000000000000 94 0.0000000000000 95 5.7568397839060 96 2.0023790552717 97 3.0035685829075 98 0.0000000000000 99 0.0000000000000 100 1.7520816733627 101 0.2502973819090 102 0.0000000000000 103 0.0000000000000 104 0.2987946455504 105 0.0000000000000 106 0.0000000000000 107 5.5065424019971 108 0.0000000000000 109 6.7580293115418 110 0.5005947638179 111 0.0000000000000 112 15.2681402964464 113 7.2586240753598 114 0.0000000000000 115 1.0011895276358 116 14.5172481507195 117 0.5975892911009 118 16.2693298240822 119 2.9695775804260 120 2.0915625188531 121 0.0000000000000 122 7.2586240753598 123 3.5855357466053 124 25.5303329547136 125 25.0297381908957 126 0.0000000000000 127 2.0212629455391 128 0.0000000000000 129 0.0000000000000 130 0.0000000000000 131 7.0083266934508 132 0.0000000000000 133 0.0000000000000 134 1.9797183869507 135 19.2728984069897 136 5.7568397839060 137 2.0023790552717 138 0.0000000000000 139 15.0178429145374 140 0.5005947638179 141 0.0000000000000 142 14.5172481507195 143 22.5267643718062 144 0.0000000000000 145 0.0000000000000 146 11.8388258238721 147 0.0000000000000 148 0.0000000000000 149 0.0000000000000 150 0.0000000000000 151 0.0000000000000 152 0.0000000000000 153 0.0000000000000 154 0.0000000000000 155 0.0000000000000 156 0.0000000000000 157 0.0000000000000 158 14.1488406187740 159 0.0000000000000 160 0.0000000000000 161 0.0000000000000 162 5.5065424019971 163 0.0000000000000 164 2.2526764371806 165 0.7508921457269 166 0.0000000000000 167 0.0000000000000 168 0.0000000000000 169 0.3299530644918 170 6.6412925353429 171 9.8175628783330 172 2.3096714514425 173 10.1063147276957 174 1.1951785822018 175 1.5017842914537 176 0.9898591934753 177 22.7770617537151 178 19.2728984069897 179 0.6599061289836 180 8.6625554808820 181 0.0000000000000 182 0.2502973819090 183 0.0000000000000 184 0.0000000000000 185 0.0000000000000 186 0.7508921457269 187 3.2538659648164 188 0.0000000000000 189 0.2502973819090 190 0.0000000000000 191 4.0047581105433 192 0.5005947638179 193 0.0000000000000 194 0.0000000000000 195 9.0107057487225 196 9.2610031306314 197 0.5005947638179 198 0.0000000000000 199 0.5775036987255 200 0.0000000000000 201 4.0047581105433 202 0.0000000000000 203 8.5101109849045 204 0.0000000000000 205 0.0000000000000 206 0.7508921457269 207 0.3299530644918 208 21.5255748441703 209 7.7592188391777 210 0.0000000000000 211 16.5196272059912 212 6.2574345477239 213 1.4939732277522 214 3.0035685829075 215 5.6092020963603 216 4.7807143288070 217 17.2705193517181 218 24.0285486632599 219 6.2746875565592 220 5.0059476381791 221 19.2728984069897 222 0.0000000000000 223 0.0000000000000 224 0.0000000000000 225 5.0059476381791 226 0.0000000000000 227 0.0000000000000 228 0.0000000000000 229 8.0095162210866 230 0.2502973819090 231 0.0000000000000 232 8.5101109849045 233 1.3198122579671 234 5.5065424019971 235 12.7651664773568 236 25.2800355728047 237 0.0000000000000 238 0.0000000000000 239 6.0071371658150 240 0.0000000000000 241 0.0000000000000 242 0.0000000000000 243 0.0000000000000 244 0.0000000000000 245 0.0000000000000 246 0.2502973819090 247 0.0000000000000 248 7.0083266934508 249 6.7580293115418 250 0.0000000000000 251 22.2764669898972 252 2.0023790552717 253 0.0000000000000 254 15.2681402964464 255 20.5243853165345 256 0.0000000000000 257 0.0000000000000 258 0.0000000000000 259 0.2987946455504 260 22.5267643718062 261 1.2514869095448 262 8.5101109849045 263 0.0000000000000 264 0.0000000000000 265 0.0000000000000 266 0.0000000000000 267 0.0000000000000 268 0.0000000000000 269 0.0000000000000 270 9.5113005125404 271 0.0000000000000 272 0.0000000000000 273 0.5005947638179 274 4.0047581105433 275 0.0000000000000 276 0.0000000000000 277 0.0000000000000 278 0.0000000000000 279 0.0000000000000 280 0.0000000000000 281 5.0059476381791 282 0.0000000000000 283 12.1275776732348 284 0.0000000000000 285 0.0000000000000 286 0.0000000000000 287 6.5077319296329 288 0.0000000000000 289 3.5041633467254 290 0.0000000000000 291 0.0000000000000 292 0.0000000000000 293 0.0000000000000 294 0.0000000000000 295 0.0000000000000 296 2.3096714514425 297 2.3100147949019 298 0.0000000000000 299 3.9594367739014 300 1.5017842914537 301 2.9695775804260 302 0.0000000000000 303 1.6497653224589 304 9.5288110289702 305 0.5975892911009 306 0.2502973819090 307 0.0000000000000 308 0.0000000000000 309 0.0000000000000 310 15.5184376783554 311 7.0083266934508 312 0.0000000000000 313 0.0000000000000 314 1.2514869095448 315 0.0000000000000 316 18.5220062612628 317 5.7568397839060 318 0.0000000000000 319 0.5005947638179 320 8.0095162210866 321 0.2987946455504 322 16.5196272059912 323 28.5339015376211 324 26.0309277185316 325 0.0000000000000 326 23.6776516477442 327 0.0000000000000 328 0.0000000000000 329 0.0000000000000 330 12.5148690954479 331 0.3299530644918 332 19.0226010250808 333 11.2633821859031 334 2.3096714514425 335 0.0000000000000 336 6.6412925353429 337 1.3198122579671 338 19.9238776060286 339 0.0000000000000 340 0.0000000000000 341 0.0000000000000 342 11.0130848039941 343 0.0000000000000 344 0.0000000000000 345 5.5065424019971 346 0.3299530644918 347 13.5160586230837 348 15.0178429145374 349 4.6193429028849 350 10.6838184264212 351 18.7688702085777 352 3.9594367739014 353 8.6625554808820 354 3.2867411010548 355 2.2526764371806 356 1.3198122579671 357 7.2586240753598 358 19.0226010250808 359 0.0000000000000 360 5.7750369872547 361 0.0000000000000 362 0.0000000000000 363 0.0000000000000 364 0.0000000000000 365 0.0000000000000 366 0.0000000000000 367 0.0000000000000 368 0.0000000000000 369 0.0000000000000 370 1.2514869095448 371 1.9797183869507 372 15.7687350602643 373 0.0000000000000 374 36.0939811703418 375 6.9794858428605 376 0.0000000000000 377 4.5053528743612 378 0.0000000000000 379 0.0000000000000 380 0.0000000000000 381 0.0000000000000 382 0.0000000000000 383 0.0000000000000 384 0.0000000000000 385 0.0000000000000 386 0.0000000000000 387 0.0000000000000 388 0.0000000000000 389 0.0000000000000 390 0.0000000000000 391 0.0000000000000 392 0.0000000000000 393 3.7544607286344 394 0.0000000000000 395 6.6412925353429 396 3.3235646870764 397 0.0000000000000 398 2.2526764371806 399 0.0000000000000 400 0.0000000000000 401 0.0000000000000 402 0.0000000000000 403 0.0000000000000 404 0.0000000000000 405 0.0000000000000 406 0.0000000000000 407 0.0000000000000 408 0.0000000000000 409 0.0000000000000 410 0.2502973819090 411 0.0000000000000 412 3.0035685829075 413 0.0000000000000 414 0.0000000000000 415 0.0000000000000 416 0.0000000000000 417 0.0000000000000 418 0.0000000000000 419 0.5005947638179 420 0.0000000000000 421 5.1975332885292 422 0.0000000000000 423 0.0000000000000 424 0.0000000000000 425 0.0000000000000 426 1.2514869095448 427 0.0000000000000 428 0.0000000000000 429 0.0000000000000 430 2.0023790552717 431 0.0000000000000 432 0.0000000000000 433 0.0000000000000 434 2.5029738190896 435 0.0000000000000 436 0.2502973819090 437 4.5053528743612 438 6.0071371658150 439 0.0000000000000 440 0.0000000000000 441 4.0047581105433 442 0.0000000000000 443 0.0000000000000 444 2.2526764371806 445 12.7651664773568 446 0.9898591934753 447 8.3738036315193 448 0.2987946455504 449 0.0000000000000 450 0.0000000000000 451 2.0023790552717 452 11.5136795678120 453 0.3299530644918 454 3.4650221923528 455 0.0000000000000 456 11.2633821859031 457 0.0000000000000 458 4.5053528743612 459 0.0000000000000 460 14.2669507688106 461 3.0035685829075 462 0.0000000000000 463 3.0035685829075 464 1.9797183869507 465 21.0249800803524 466 24.5291434270778 467 2.2526764371806 468 1.9797183869507 469 19.7734931708076 470 25.0297381908957 471 17.5208167336270 472 0.0000000000000 473 0.0000000000000 474 0.0000000000000 475 0.0000000000000 476 0.0000000000000 477 3.5041633467254 478 0.0000000000000 479 0.0000000000000 480 0.0000000000000 481 0.0000000000000 482 2.2526764371806 483 0.0000000000000 484 0.0000000000000 485 1.0011895276358 486 0.0000000000000 487 0.0000000000000 488 6.5077319296329 489 6.7580293115418 490 0.2502973819090 491 0.0000000000000 492 0.0000000000000 493 0.2987946455504 494 7.2586240753598 495 0.0000000000000 496 0.0000000000000 497 0.0000000000000 498 18.5220062612628 499 5.2562450200881 500 0.0000000000000 501 0.0000000000000 502 2.2526764371806 503 0.0000000000000 504 20.7746826984435 505 4.2550554924523 506 0.0000000000000 507 2.5029738190896 508 5.7568397839060 509 0.0000000000000 510 13.2657612411747 511 8.5101109849045 512 19.5231957888987 513 1.6497653224589 514 13.8600887694112 515 0.0000000000000 516 0.0000000000000 517 0.0000000000000 518 6.5077319296329 519 0.0000000000000 520 0.0000000000000 521 0.0000000000000 522 11.8388258238721 523 0.0000000000000 524 0.0000000000000 525 0.8662555480882 526 0.0000000000000 527 0.3299530644918 528 17.2705193517181 529 6.2574345477239 530 0.9898591934753 531 28.0333067738032 532 17.7711141155360 533 0.6599061289836 534 15.2681402964464 535 24.0285486632599 536 0.0000000000000 537 14.5172481507195 538 2.9695775804260 539 24.8326590451951 540 0.0000000000000 541 0.0000000000000 542 0.0000000000000 543 10.0118952763583 544 0.9898591934753 545 14.5172481507195 546 7.2586240753598 547 5.7750369872547 548 6.4809511397990 549 0.0000000000000 550 0.0000000000000 551 0.0000000000000 552 7.2586240753598 553 0.0000000000000 554 0.0000000000000 555 0.0000000000000 556 4.0047581105433 557 9.0107057487225 558 0.0000000000000 559 2.0023790552717 560 0.0000000000000 561 0.0000000000000 562 0.0000000000000 563 0.0000000000000 564 2.6396245159342 565 24.7794408089868 566 14.5172481507195 567 17.2705193517181 568 0.0000000000000 569 0.0000000000000 570 0.0000000000000 571 0.0000000000000 572 0.0000000000000 573 4.2550554924523 574 0.3299530644918 575 9.0107057487225 576 20.2740879346255 577 4.6193429028849 578 37.2489885677927 579 4.7807143288070 580 32.5386596481645 581 6.7580293115418 582 0.3299530644918 583 18.1913665098522 584 0.0000000000000 585 0.0000000000000 586 0.0000000000000 587 5.0059476381791 588 1.3198122579671 589 0.0000000000000 590 15.7687350602643 591 22.7770617537151 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 6.2574345477239 610 0.2502973819090 611 0.0000000000000 612 0.0000000000000 613 0.0000000000000 614 0.0000000000000 615 8.7604083668135 616 6.2574345477239 617 0.0000000000000 618 4.2550554924523 619 0.0000000000000 620 0.2987946455504 621 25.7806303366226 622 14.2669507688106 623 15.7687350602643 624 0.3299530644918 625 9.8175628783330 626 0.0000000000000 627 0.0000000000000 628 0.0000000000000 629 10.0118952763583 630 0.6599061289836 631 15.7687350602643 632 4.5053528743612 633 31.7627034299007 634 0.0000000000000 635 0.0000000000000 636 0.5775036987255 637 0.0000000000000 638 0.0000000000000 639 0.0000000000000 640 0.0000000000000 641 0.0000000000000 642 0.0000000000000 643 4.0047581105433 644 0.3299530644918 645 2.2526764371806 646 11.5136795678120 647 5.6092020963603 648 21.6563887022050 649 12.4163295225976 650 0.0000000000000 651 5.1975332885292 652 0.0000000000000 653 0.0000000000000 654 0.0000000000000 655 3.2538659648164 656 0.0000000000000 657 0.0000000000000 658 0.0000000000000 659 0.0000000000000 660 0.0000000000000 661 0.0000000000000 662 2.5029738190896 663 0.0000000000000 664 0.5005947638179 665 0.0000000000000 666 0.0000000000000 667 0.2502973819090 668 0.0000000000000 669 0.0000000000000 670 0.0000000000000 671 0.0000000000000 672 0.0000000000000 673 0.0000000000000 674 0.0000000000000 675 0.3299530644918 676 3.5041633467254 677 4.7556502562702 678 0.0000000000000 679 0.0000000000000 680 0.0000000000000 681 1.9797183869507 682 3.4650221923528 683 0.5975892911009 684 0.0000000000000 685 0.0000000000000 686 17.0202219698091 687 0.0000000000000 688 8.0095162210866 689 0.0000000000000 690 0.0000000000000 691 6.2574345477239 692 15.7687350602643 693 0.0000000000000 694 23.2776565175330 695 21.0249800803524 696 0.0000000000000 697 17.0202219698091 698 0.0000000000000 699 0.0000000000000 700 25.0297381908957 701 1.5017842914537 702 3.5041633467254 703 0.0000000000000 704 23.6776516477442 705 0.0000000000000 706 0.0000000000000 707 0.0000000000000 708 14.0166533869016 709 2.3096714514425 710 9.5113005125404 711 11.0130848039941 712 15.7687350602643 713 1.3198122579671 714 17.0363591124013 715 0.0000000000000 716 0.0000000000000 717 0.0000000000000 718 3.2538659648164 719 0.0000000000000 720 0.0000000000000 721 0.0000000000000 722 0.0000000000000 723 0.2502973819090 724 0.0000000000000 725 0.0000000000000 726 0.0000000000000 727 0.0000000000000 728 0.0000000000000 729 0.0000000000000 730 6.7580293115418 731 0.0000000000000 732 1.3198122579671 733 11.5500739745094 734 0.2987946455504 735 0.0000000000000 736 0.9898591934753 737 26.0309277185316 738 17.7711141155360 739 2.6396245159342 740 30.3189441830871 741 0.8963839366513 742 0.0000000000000 743 0.0000000000000 744 13.2657612411747 745 0.0000000000000 746 11.7639769497210 747 10.0118952763583 748 0.0000000000000 749 0.2502973819090 750 0.0000000000000 751 1.3198122579671 752 16.5196272059912 753 21.0249800803524 754 2.0915625188531 755 1.7520816733627 756 4.2893898383931 757 4.7807143288070 758 3.2538659648164 759 3.5041633467254 760 5.3783036199079 761 1.5017842914537 762 3.0035685829075 763 0.6599061289836 764 0.0000000000000 765 0.8963839366513 766 12.0142743316300 767 0.0000000000000 768 0.0000000000000 769 0.0000000000000 770 20.0237905527166 771 15.5184376783554 772 2.9695775804260 773 42.1577700069592 774 0.8963839366513 775 9.7615978944493 776 0.0000000000000 777 0.0000000000000 778 14.4375924681367 779 0.0000000000000 780 0.0000000000000 781 0.0000000000000 782 7.0083266934508 783 0.0000000000000 784 1.0011895276358 785 0.2502973819090 786 0.9898591934753 787 1.1550073974509 788 5.6770982654583 789 32.5386596481645 790 19.2728984069897 791 0.3299530644918 792 11.5500739745094 793 0.0000000000000 794 0.0000000000000 795 0.0000000000000 796 0.0000000000000 797 4.5053528743612 798 0.0000000000000 799 0.2887518493627 800 0.0000000000000 801 0.0000000000000 802 0.0000000000000 803 0.0000000000000 804 0.0000000000000 805 8.0095162210866 806 0.9898591934753 807 3.5041633467254 808 24.7794408089868 809 10.5124900401762 810 0.0000000000000 811 6.7580293115418 812 22.0261696079882 813 0.7508921457269 814 0.0000000000000 815 0.0000000000000 816 0.0000000000000 817 0.0000000000000 818 0.0000000000000 819 1.0011895276358 820 0.0000000000000 821 0.0000000000000 822 0.0000000000000 823 0.0000000000000 824 0.0000000000000 825 0.0000000000000 826 0.0000000000000 827 0.2502973819090 828 0.0000000000000 829 0.0000000000000 830 0.2502973819090 831 0.0000000000000 832 0.0000000000000 833 0.9898591934753 834 0.0000000000000 835 1.1951785822018 836 0.5005947638179 837 0.0000000000000 838 0.0000000000000 839 0.0000000000000 840 5.7568397839060 841 9.0107057487225 842 0.0000000000000 843 2.0023790552717 844 0.5005947638179 845 0.0000000000000 846 13.2657612411747 847 7.0083266934508 848 0.0000000000000 849 9.5113005125404 850 21.2752774622614 851 0.2987946455504 852 7.0083266934508 853 29.2847936833480 854 27.0321172461674 855 0.0000000000000 856 0.5775036987255 857 0.0000000000000 858 1.5017842914537 859 0.0000000000000 860 0.5005947638179 861 0.9898591934753 862 17.2705193517181 863 21.5255748441703 864 5.2792490318685 865 15.5925998655876 866 18.7688702085777 867 0.6599061289836 868 16.4588554136758 869 0.0000000000000 870 0.0000000000000 871 0.0000000000000 872 4.0047581105433 873 0.0000000000000 874 0.0000000000000 875 0.7508921457269 876 0.3299530644918 877 17.5208167336270 878 10.2621926582673 879 3.2995306449178 880 2.5987666442646 881 13.5713369200485 882 0.0000000000000 883 0.8662555480882 884 0.0000000000000 885 0.0000000000000 886 0.0000000000000 887 0.0000000000000 888 0.0000000000000 889 0.5005947638179 890 0.0000000000000 891 0.0000000000000 892 0.0000000000000 893 0.2887518493627 894 0.0000000000000 895 0.0000000000000 896 0.0000000000000 897 4.5053528743612 898 0.0000000000000 899 7.0083266934508 900 12.7651664773568 901 0.0000000000000 902 10.5124900401762 903 2.0023790552717 904 4.9492959673767 905 36.6714848690672 906 25.6989145932833 907 1.6497653224589 908 1.7325110961764 909 0.8963839366513 910 0.0000000000000 911 0.0000000000000 912 8.2598136029956 913 0.0000000000000 914 7.7592188391777 915 0.2502973819090 916 0.0000000000000 917 4.7556502562702 918 16.7699245879001 919 0.0000000000000 920 15.7687350602643 921 8.5101109849045 922 0.3299530644918 923 19.7734931708076 924 22.0261696079882 925 0.2987946455504 926 21.2752774622614 927 30.7865779748018 928 25.0297381908957 929 0.0000000000000 930 4.0425258910783 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 10.2621926582673 942 1.0011895276358 943 0.0000000000000 944 0.0000000000000 945 2.7532712009985 946 0.5005947638179 947 9.2610031306314 948 0.6599061289836 949 0.0000000000000 950 0.2987946455504 951 0.0000000000000 952 0.0000000000000 953 2.5029738190896 954 0.0000000000000 955 9.2610031306314 956 10.5124900401762 957 2.6396245159342 958 25.1214108945579 959 6.8722768476601 960 22.5267643718062 961 22.0261696079882 962 0.0000000000000 963 0.0000000000000 964 0.2987946455504 965 0.0000000000000 966 0.0000000000000 967 0.0000000000000 968 0.0000000000000 969 0.7508921457269 970 15.0178429145374 971 0.3299530644918 972 12.5148690954479 973 4.7556502562702 974 4.2893898383931 975 43.6015292537728 976 3.5855357466053 977 9.2610031306314 978 2.5029738190896 979 0.0000000000000 980 0.0000000000000 981 0.0000000000000 982 0.0000000000000 983 0.0000000000000 984 10.7627874220852 985 0.0000000000000 986 1.0011895276358 987 12.0142743316300 988 3.6294837094096 989 19.6351257566659 990 3.7537740417155 991 0.0000000000000 992 9.2400591796075 993 0.0000000000000 994 0.0000000000000 995 0.0000000000000 996 0.0000000000000 997 0.0000000000000 998 1.7520816733627 999 0.6599061289836 1000 0.0000000000000 1001 6.0071371658150 1002 9.0107057487225 1003 0.0000000000000 1004 3.2538659648164 1005 4.0047581105433 1006 0.0000000000000 1007 0.0000000000000 1008 0.0000000000000 1009 0.0000000000000 1010 0.0000000000000 1011 0.0000000000000 1012 4.7556502562702 1013 0.0000000000000 1014 17.0202219698091 1015 0.2502973819090 1016 3.9594367739014 1017 14.1488406187740 1018 32.9177108273517 1019 0.0000000000000 1020 0.0000000000000 1021 0.0000000000000 1022 0.0000000000000 1023 0.0000000000000 1024 1.5017842914537 1025 2.3096714514425 1026 7.5089214572687 1027 26.0309277185316 1028 6.0071371658150 1029 0.9898591934753 1030 3.1762703429901 1031 0.2987946455504 1032 0.2502973819090 1033 0.0000000000000 1034 5.2562450200881 1035 0.3299530644918 1036 0.0000000000000 1037 0.0000000000000 1038 2.0023790552717 1039 0.0000000000000 1040 0.2887518493627 1041 0.0000000000000 1042 0.0000000000000 1043 0.0000000000000 1044 0.0000000000000 1045 0.0000000000000 1046 1.7520816733627 1047 0.3299530644918 1048 0.2502973819090 1049 22.0261696079882 1050 1.0011895276358 1051 0.0000000000000 1052 0.0000000000000 1053 13.2657612411747 1054 0.0000000000000 1055 0.0000000000000 1056 0.0000000000000 1057 0.0000000000000 1058 0.0000000000000 1059 0.0000000000000 1060 0.2502973819090 1061 0.0000000000000 1062 0.2502973819090 1063 4.0047581105433 1064 0.0000000000000 1065 8.5101109849045 1066 1.0011895276358 1067 0.9898591934753 1068 14.0166533869016 1069 19.7734931708076 1070 0.2987946455504 1071 0.0000000000000 1072 4.9492959673767 1073 5.9758929110088 1074 16.5196272059912 1075 29.0344963014391 1076 3.5855357466053 1077 1.2514869095448 1078 27.7830093918943 1079 0.0000000000000 1080 0.0000000000000 1081 0.0000000000000 1082 0.0000000000000 1083 0.0000000000000 1084 0.2502973819090 1085 7.7592188391777 1086 0.0000000000000 1087 0.0000000000000 1088 0.0000000000000 1089 0.0000000000000 1090 0.0000000000000 1091 0.0000000000000 1092 0.0000000000000 1093 0.0000000000000 1094 0.0000000000000 1095 0.0000000000000 1096 0.0000000000000 1097 0.0000000000000 1098 0.0000000000000 1099 0.0000000000000 1100 0.7508921457269 1101 0.0000000000000 1102 0.0000000000000 1103 0.0000000000000 1104 0.0000000000000 1105 0.0000000000000 1106 0.0000000000000 1107 0.0000000000000 1108 0.0000000000000 1109 0.0000000000000 1110 0.0000000000000 1111 0.0000000000000 1112 2.0023790552717 1113 9.2610031306314 1114 0.0000000000000 1115 0.0000000000000 1116 2.3096714514425 1117 22.0261696079882 1118 13.0154638592658 1119 4.0047581105433 1120 0.0000000000000 1121 0.0000000000000 1122 6.7580293115418 1123 7.7592188391777 1124 0.0000000000000 1125 12.1275776732348 1126 0.0000000000000 1127 0.0000000000000 1128 0.0000000000000 1129 11.0130848039941 1130 0.0000000000000 1131 1.0011895276358 1132 8.7604083668135 1133 0.3299530644918 1134 20.0237905527166 1135 4.2550554924523 1136 1.3198122579671 1137 14.5172481507195 1138 26.7818198642584 1139 3.2867411010548 1140 2.0023790552717 1141 5.2792490318685 1142 5.6770982654583 1143 15.7687350602643 1144 26.2812251004405 1145 5.6770982654583 1146 6.0071371658150 1147 22.0261696079882 1148 1.9797183869507 1149 24.5439071958324 1150 0.0000000000000 1151 0.0000000000000 1152 0.0000000000000 1153 7.0083266934508 1154 0.0000000000000 1155 0.7508921457269 1156 0.0000000000000 1157 0.0000000000000 1158 0.0000000000000 1159 3.5855357466053 1160 10.2621926582673 1161 1.2514869095448 1162 0.9898591934753 1163 1.4437592468137 1164 0.0000000000000 1165 8.0095162210866 1166 0.0000000000000 1167 12.7651664773568 1168 2.6396245159342 1169 10.7627874220852 1170 17.0202219698091 1171 24.2788460451689 1172 0.0000000000000 1173 6.3525406859801 1174 0.0000000000000 1175 0.0000000000000 1176 0.0000000000000 1177 1.2514869095448 1178 0.0000000000000 1179 0.5005947638179 1180 1.2514869095448 1181 0.3299530644918 1182 13.7663560049927 1183 7.7592188391777 1184 0.0000000000000 1185 1.0011895276358 1186 21.2752774622614 1187 0.0000000000000 1188 20.7746826984435 1189 23.5279538994420 1190 0.2987946455504 1191 2.0023790552717 1192 29.7853884471659 1193 16.7699245879001 1194 0.0000000000000 1195 3.1762703429901 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 0.0000000000000 1219 0.0000000000000 1220 0.0000000000000 1221 4.5053528743612 1222 0.0000000000000 1223 2.7532712009985 1224 0.0000000000000 1225 0.0000000000000 1226 2.5029738190896 1227 19.2728984069897 1228 0.0000000000000 1229 0.0000000000000 1230 18.2717088793539 1231 0.0000000000000 1232 0.0000000000000 1233 10.2621926582673 1234 23.5279538994420 1235 0.0000000000000 1236 0.0000000000000 1237 0.0000000000000 1238 0.0000000000000 1239 0.0000000000000 1240 0.0000000000000 1241 0.3299530644918 1242 10.5124900401762 1243 19.7734931708076 1244 0.3299530644918 1245 6.5077319296329 1246 14.5172481507195 1247 0.0000000000000 1248 17.2705193517181 1249 2.3096714514425 1250 4.6200295898037 1251 0.0000000000000 1252 0.0000000000000 1253 0.0000000000000 1254 0.0000000000000 1255 0.0000000000000 1256 0.0000000000000 1257 0.0000000000000 1258 0.0000000000000 1259 0.0000000000000 1260 0.0000000000000 1261 0.0000000000000 1262 0.5005947638179 1263 0.0000000000000 1264 0.0000000000000 1265 0.0000000000000 1266 0.0000000000000 1267 0.0000000000000 1268 0.0000000000000 1269 0.0000000000000 1270 0.0000000000000 1271 0.0000000000000 1272 0.0000000000000 1273 0.0000000000000 1274 0.0000000000000 1275 0.0000000000000 1276 0.0000000000000 1277 0.0000000000000 1278 0.0000000000000 1279 0.0000000000000 1280 8.6625554808820 1281 0.0000000000000 1282 0.0000000000000 1283 7.7592188391777 1284 0.0000000000000 1285 0.0000000000000 1286 0.0000000000000 1287 0.0000000000000 1288 0.0000000000000 1289 0.0000000000000 1290 0.0000000000000 1291 0.0000000000000 1292 0.6599061289836 1293 14.7675455326285 1294 19.5231957888987 1295 2.3096714514425 1296 14.7263443174994 1297 4.0425258910783 1298 0.0000000000000 1299 13.2825850706858 1300 0.0000000000000 1301 0.2502973819090 1302 0.0000000000000 1303 13.2657612411747 1304 0.9898591934753 1305 13.0154638592658 1306 24.5291434270778 1307 5.1975332885292 1308 1.4956041091844 1309 0.3299530644918 1310 8.3738036315193 1311 0.0000000000000 1312 0.0000000000000 1313 0.0000000000000 1314 0.5005947638179 1315 0.0000000000000 1316 0.0000000000000 1317 0.0000000000000 1318 0.0000000000000 1319 0.0000000000000 1320 0.0000000000000 1321 0.5005947638179 1322 0.2502973819090 1323 0.0000000000000 1324 0.0000000000000 1325 1.5017842914537 1326 0.5005947638179 1327 0.0000000000000 1328 0.0000000000000 1329 2.8875184936273 1330 0.2987946455504 1331 0.5005947638179 1332 0.0000000000000 1333 14.0166533869016 1334 0.9898591934753 1335 16.0190324421733 1336 19.7734931708076 1337 0.6599061289836 1338 0.2887518493627 1339 0.2887518493627 1340 0.0000000000000 1341 0.0000000000000 1342 0.8963839366513 1343 8.0095162210866 1344 0.0000000000000 1345 4.2550554924523 1346 1.9797183869507 1347 17.7711141155360 1348 25.0297381908957 1349 26.7818198642584 1350 0.6599061289836 1351 9.8175628783330 1352 0.0000000000000 1353 0.0000000000000 1354 0.0000000000000 1355 0.2502973819090 1356 0.0000000000000 1357 2.5029738190896 1358 0.0000000000000 1359 0.0000000000000 1360 8.2598136029956 1361 0.0000000000000 1362 1.6497653224589 1363 14.2669507688106 1364 21.5255748441703 1365 6.5077319296329 1366 0.0000000000000 1367 0.0000000000000 1368 0.0000000000000 1369 0.0000000000000 1370 0.0000000000000 1371 0.0000000000000 1372 0.0000000000000 1373 0.0000000000000 1374 3.7544607286344 1375 0.0000000000000 1376 2.5029738190896 1377 0.0000000000000 1378 0.0000000000000 1379 0.0000000000000 1380 3.0035685829075 1381 0.0000000000000 1382 0.7508921457269 1383 0.0000000000000 1384 0.0000000000000 1385 0.0000000000000 1386 18.5220062612628 1387 2.3903571644035 1388 12.2645717135389 1389 25.7806303366226 1390 0.0000000000000 1391 0.2887518493627 1392 0.0000000000000 1393 0.0000000000000 1394 0.0000000000000 1395 0.0000000000000 1396 0.0000000000000 1397 3.7544607286344 1398 4.5053528743612 1399 0.0000000000000 1400 0.0000000000000 1401 0.0000000000000 1402 0.6599061289836 1403 9.2610031306314 1404 7.2586240753598 1405 1.7927678733026 1406 0.2502973819090 1407 5.2792490318685 1408 6.2746875565592 1409 7.5089214572687 1410 17.5208167336270 1411 8.0674554298619 1412 6.5077319296329 1413 6.5077319296329 1414 0.3299530644918 1415 0.0000000000000 1416 0.2987946455504 1417 0.0000000000000 1418 0.0000000000000 1419 1.5017842914537 1420 0.0000000000000 1421 0.0000000000000 1422 0.0000000000000 1423 9.2610031306314 1424 0.0000000000000 1425 0.0000000000000 1426 0.0000000000000 1427 0.0000000000000 1428 0.0000000000000 1429 0.0000000000000 1430 0.6599061289836 1431 3.2538659648164 1432 4.2550554924523 1433 0.0000000000000 1434 0.0000000000000 1435 0.0000000000000 1436 0.0000000000000 1437 0.0000000000000 1438 0.0000000000000 1439 1.5017842914537 1440 0.0000000000000 1441 0.0000000000000 1442 0.0000000000000 1443 2.5029738190896 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 0.0000000000000 1453 0.0000000000000 1454 0.0000000000000 1455 1.5017842914537 1456 0.0000000000000 1457 0.0000000000000 1458 0.0000000000000 1459 1.9797183869507 1460 2.7532712009985 1461 5.7568397839060 1462 2.7532712009985 1463 0.0000000000000 1464 0.5775036987255 1465 0.0000000000000 1466 0.0000000000000 1467 0.0000000000000 1468 1.0011895276358 1469 0.0000000000000 1470 0.0000000000000 1471 0.0000000000000 1472 0.0000000000000 1473 0.2887518493627 1474 0.0000000000000 1475 0.0000000000000 1476 0.0000000000000 1477 0.0000000000000 1478 0.8662555480882 1479 0.0000000000000 1480 0.0000000000000 1481 0.0000000000000 1482 0.0000000000000 1483 0.0000000000000 1484 0.0000000000000 1485 0.0000000000000 1486 0.0000000000000 1487 0.0000000000000 1488 0.0000000000000 1489 4.2190044292144 1490 0.9898591934753 1491 0.0000000000000 1492 0.5005947638179 1493 1.0011895276358 1494 0.0000000000000 1495 0.0000000000000 1496 0.0000000000000 1497 0.0000000000000 1498 0.0000000000000 1499 0.0000000000000 1500 0.0000000000000 1501 4.5053528743612 1502 1.9797183869507 1503 3.0035685829075 1504 4.5053528743612 1505 14.2669507688106 1506 0.0000000000000 1507 0.0000000000000 1508 0.5005947638179 1509 0.7508921457269 1510 1.6497653224589 1511 7.5075480834311 1512 1.7927678733026 1513 0.2502973819090 1514 0.0000000000000 1515 13.5160586230837 1516 0.0000000000000 1517 0.0000000000000 1518 0.0000000000000 1519 0.0000000000000 1520 10.2621926582673 1521 10.7627874220852 1522 1.6497653224589 1523 31.7627034299007 1524 0.0000000000000 1525 4.7556502562702 1526 0.0000000000000 1527 0.0000000000000 1528 16.4588554136758 1529 0.0000000000000 1530 0.0000000000000 1531 0.0000000000000 1532 5.2562450200881 1533 0.0000000000000 1534 18.0214114974449 1535 7.7592188391777 1536 0.0000000000000 1537 0.0000000000000 1538 0.0000000000000 1539 20.0402710387682 1540 0.3299530644918 1541 0.0000000000000 1542 6.5077319296329 1543 5.5065424019971 1544 1.9797183869507 1545 17.6138628111268 1546 1.4939732277522 1547 0.0000000000000 1548 0.9898591934753 1549 11.2633821859031 1550 16.7699245879001 1551 0.0000000000000 1552 0.0000000000000 1553 0.0000000000000 1554 6.5077319296329 1555 0.0000000000000 1556 0.0000000000000 1557 0.0000000000000 1558 0.0000000000000 1559 6.0071371658150 1560 0.0000000000000 1561 14.0166533869016 1562 15.2681402964464 1563 4.2893898383931 1564 3.1762703429901 1565 44.4677848018610 1566 0.0000000000000 1567 0.2887518493627 1568 1.1951785822018 1569 4.2550554924523 1570 1.3198122579671 1571 17.0202219698091 1572 20.2740879346255 1573 0.3299530644918 1574 20.7901331541168 1575 0.0000000000000 1576 0.0000000000000 1577 0.0000000000000 1578 7.2586240753598 1579 0.0000000000000 1580 0.0000000000000 1581 0.0000000000000 1582 3.5041633467254 1583 0.0000000000000 1584 0.0000000000000 1585 0.0000000000000 1586 0.0000000000000 1587 0.0000000000000 1588 0.0000000000000 1589 0.0000000000000 1590 3.1762703429901 1591 0.0000000000000 1592 0.0000000000000 1593 0.0000000000000 1594 0.0000000000000 1595 1.3198122579671 1596 15.0178429145374 1597 3.5041633467254 1598 0.0000000000000 1599 0.9898591934753 1600 12.7050813719603 1601 1.1951785822018 1602 1.5017842914537 1603 0.6599061289836 1604 20.5243853165345 1605 18.7723036431718 1606 3.2995306449178 1607 3.7537740417155 1608 0.5975892911009 1609 11.2633821859031 1610 0.0000000000000 1611 3.2538659648164 1612 0.6599061289836 1613 10.2621926582673 1614 2.7532712009985 1615 2.9695775804260 1616 2.5987666442646 1617 8.3662500754123 1618 33.5398491758003 1619 26.7818198642584 1620 0.0000000000000 1621 15.0150961668622 1622 0.0000000000000 1623 0.2502973819090 1624 0.0000000000000 1625 0.0000000000000 1626 0.0000000000000 1627 2.2526764371806 1628 0.0000000000000 1629 0.0000000000000 1630 0.0000000000000 1631 0.0000000000000 1632 0.0000000000000 1633 0.0000000000000 1634 0.0000000000000 1635 0.0000000000000 1636 0.0000000000000 1637 0.0000000000000 1638 9.2610031306314 1639 1.5017842914537 1640 0.0000000000000 1641 0.0000000000000 1642 0.0000000000000 1643 0.0000000000000 1644 0.0000000000000 1645 4.5053528743612 1646 0.0000000000000 1647 0.0000000000000 1648 0.0000000000000 1649 0.0000000000000 1650 0.3299530644918 1651 0.0000000000000 1652 0.0000000000000 1653 1.0011895276358 1654 0.0000000000000 1655 4.0047581105433 1656 0.0000000000000 1657 10.2621926582673 1658 0.0000000000000 1659 0.0000000000000 1660 2.2526764371806 1661 10.5124900401762 1662 0.3299530644918 1663 24.0285486632599 1664 14.5172481507195 1665 1.4939732277522 1666 14.5172481507195 1667 5.9391551608520 1668 4.1831250377061 1669 16.5196272059912 1670 8.5101109849045 1671 4.4819196832566 1672 18.0214114974449 1673 11.5136795678120 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 0.0000000000000 1683 0.0000000000000 1684 3.0035685829075 1685 0.0000000000000 1686 0.0000000000000 1687 2.3096714514425 1688 1.2514869095448 1689 17.7711141155360 1690 15.2681402964464 1691 0.0000000000000 1692 0.0000000000000 1693 0.0000000000000 1694 0.0000000000000 1695 0.0000000000000 1696 0.0000000000000 1697 0.0000000000000 1698 0.0000000000000 1699 0.0000000000000 1700 0.0000000000000 1701 0.0000000000000 1702 0.0000000000000 1703 5.5065424019971 1704 0.7508921457269 1705 0.0000000000000 1706 0.3299530644918 1707 0.0000000000000 1708 3.2538659648164 1709 7.2586240753598 1710 0.0000000000000 1711 0.5775036987255 1712 0.0000000000000 1713 0.0000000000000 1714 0.0000000000000 1715 0.0000000000000 1716 0.0000000000000 1717 0.2502973819090 1718 0.0000000000000 1719 0.0000000000000 1720 9.7615978944493 1721 1.5017842914537 1722 4.6193429028849 1723 18.1913665098522 1724 5.6770982654583 1725 25.0297381908957 1726 6.2574345477239 1727 0.0000000000000 1728 9.5288110289702 1729 0.0000000000000 1730 0.0000000000000 1731 0.0000000000000 1732 8.7604083668135 1733 0.0000000000000 1734 0.0000000000000 1735 5.0059476381791 1736 0.0000000000000 1737 18.2717088793539 1738 0.0000000000000 1739 5.2792490318685 1740 20.5013813047541 1741 2.0915625188531 1742 16.5196272059912 1743 0.0000000000000 1744 0.0000000000000 1745 11.2613221251466 1746 0.0000000000000 1747 0.0000000000000 1748 0.0000000000000 1749 0.0000000000000 1750 0.0000000000000 1751 9.0107057487225 1752 4.5053528743612 1753 0.0000000000000 1754 0.2502973819090 1755 0.2502973819090 1756 0.0000000000000 1757 20.0237905527166 1758 16.5196272059912 1759 0.0000000000000 1760 20.7746826984435 1761 26.5315224823495 1762 0.0000000000000 1763 2.0023790552717 1764 19.7734931708076 1765 20.2740879346255 1766 0.3299530644918 1767 9.2400591796075 1768 0.0000000000000 1769 0.0000000000000 1770 0.0000000000000 1771 8.0095162210866 1772 0.0000000000000 1773 0.0000000000000 1774 0.0000000000000 1775 0.0000000000000 1776 11.7639769497210 1777 0.0000000000000 1778 0.6599061289836 1779 0.5005947638179 1780 0.0000000000000 1781 0.5975892911009 1782 3.7544607286344 1783 4.2893898383931 1784 4.4819196832566 1785 1.7520816733627 1786 10.2621926582673 1787 5.3783036199079 1788 28.7841989195301 1789 24.2788460451689 1790 0.0000000000000 1791 0.0000000000000 1792 0.0000000000000 1793 0.2502973819090 1794 0.0000000000000 1795 0.5005947638179 1796 0.3299530644918 1797 6.5077319296329 1798 6.0071371658150 1799 0.0000000000000 1800 0.6599061289836 1801 20.0237905527166 1802 0.0000000000000 1803 11.5136795678120 1804 0.0000000000000 1805 0.0000000000000 1806 2.0023790552717 1807 0.0000000000000 1808 0.5005947638179 1809 0.0000000000000 1810 0.0000000000000 1811 0.0000000000000 1812 2.0023790552717 1813 0.0000000000000 1814 0.6599061289836 1815 1.7325110961764 1816 0.0000000000000 1817 0.0000000000000 1818 0.0000000000000 1819 6.7580293115418 1820 0.3299530644918 1821 12.5148690954479 1822 21.0249800803524 1823 6.2691082253438 1824 24.8326590451951 1825 34.9389737728908 1826 0.9898591934753 1827 8.9513073302448 1828 0.0000000000000 1829 0.0000000000000 1830 0.0000000000000 1831 6.2574345477239 1832 0.0000000000000 1833 0.0000000000000 1834 3.2538659648164 1835 0.6599061289836 1836 23.0273591356241 1837 7.5089214572687 1838 4.2893898383931 1839 17.9026146604895 1840 16.7476072630386 1841 0.0000000000000 1842 0.5775036987255 1843 0.0000000000000 1844 0.0000000000000 1845 0.0000000000000 1846 0.0000000000000 1847 0.0000000000000 1848 0.5005947638179 1849 0.0000000000000 1850 0.0000000000000 1851 0.0000000000000 1852 0.0000000000000 1853 0.0000000000000 1854 0.0000000000000 1855 0.0000000000000 1856 0.0000000000000 1857 0.3299530644918 1858 4.2550554924523 1859 12.7651664773568 1860 1.7520816733627 1861 0.3299530644918 1862 0.8662555480882 1863 0.0000000000000 1864 0.0000000000000 1865 0.0000000000000 1866 2.5029738190896 1867 0.0000000000000 1868 6.7580293115418 1869 0.6599061289836 1870 17.2705193517181 1871 21.0249800803524 1872 0.0000000000000 1873 1.6497653224589 1874 0.5005947638179 1875 19.2728984069897 1876 20.2740879346255 1877 0.0000000000000 1878 0.0000000000000 1879 0.0000000000000 1880 0.0000000000000 1881 0.0000000000000 1882 0.2502973819090 1883 0.0000000000000 1884 1.5017842914537 1885 0.0000000000000 1886 2.6396245159342 1887 4.0425258910783 1888 2.6891518099540 1889 18.2717088793539 1890 1.0011895276358 1891 0.0000000000000 1892 0.5775036987255 1893 0.0000000000000 1894 0.0000000000000 1895 0.0000000000000 1896 1.5017842914537 1897 0.0000000000000 1898 0.0000000000000 1899 0.0000000000000 1900 0.0000000000000 1901 0.0000000000000 1902 0.0000000000000 1903 1.2514869095448 1904 1.2514869095448 1905 0.0000000000000 1906 0.0000000000000 1907 7.7592188391777 1908 0.0000000000000 1909 0.5005947638179 1910 0.0000000000000 1911 0.0000000000000 1912 0.0000000000000 1913 0.0000000000000 1914 0.0000000000000 1915 0.0000000000000 1916 1.9797183869507 1917 3.5041633467254 1918 8.7604083668135 1919 5.2562450200881 1920 0.0000000000000 1921 8.6625554808820 1922 0.0000000000000 1923 0.0000000000000 1924 0.0000000000000 1925 10.7627874220852 1926 0.0000000000000 1927 2.0023790552717 1928 14.0166533869016 1929 0.0000000000000 1930 15.0178429145374 1931 0.2502973819090 1932 0.0000000000000 1933 3.0035685829075 1934 18.5220062612628 1935 0.3299530644918 1936 23.0273591356241 1937 3.7544607286344 1938 0.2987946455504 1939 26.7818198642584 1940 17.7711141155360 1941 9.5113005125404 1942 1.3198122579671 1943 27.1426738400970 1944 0.0000000000000 1945 0.0000000000000 1946 0.0000000000000 1947 12.5148690954479 1948 1.6497653224589 1949 17.7711141155360 1950 18.7723036431718 1951 5.7750369872547 1952 0.0000000000000 1953 3.2995306449178 1954 2.3100147949019 1955 1.4939732277522 1956 8.5101109849045 1957 0.0000000000000 1958 1.2514869095448 1959 0.0000000000000 1960 16.2693298240822 1961 14.7675455326285 1962 0.0000000000000 1963 3.2538659648164 1964 1.5017842914537 1965 0.3299530644918 1966 22.0261696079882 1967 13.2657612411747 1968 1.7927678733026 1969 19.0226010250808 1970 6.9290143543274 1971 7.4698661387610 1972 18.0214114974449 1973 1.7520816733627 1974 6.8722768476601 1975 30.7865779748018 1976 5.7568397839060 1977 0.0000000000000 1978 0.0000000000000 1979 0.5975892911009 1980 0.7508921457269 1981 0.0000000000000 1982 4.0047581105433 1983 0.0000000000000 1984 2.2526764371806 1985 0.0000000000000 1986 0.0000000000000 1987 1.3198122579671 1988 7.5089214572687 1989 0.2987946455504 1990 0.0000000000000 1991 0.0000000000000 1992 0.0000000000000 1993 0.2502973819090 1994 0.0000000000000 1995 0.0000000000000 1996 0.0000000000000 1997 0.0000000000000 1998 0.9898591934753 1999 0.2502973819090 2000 0.0000000000000 2001 0.0000000000000 2002 0.0000000000000 2003 0.0000000000000 2004 0.0000000000000 2005 0.0000000000000 2006 0.0000000000000 2007 0.0000000000000 2008 0.0000000000000 2009 3.0035685829075 2010 0.0000000000000 2011 0.0000000000000 2012 0.0000000000000 2013 0.0000000000000 2014 3.0035685829075 2015 0.3299530644918 2016 24.2551553464697 2017 4.8191687962608 2018 3.2995306449178 2019 27.7830093918943 2020 0.6599061289836 2021 14.2669507688106 2022 0.0000000000000 2023 4.3312777404410 2024 0.0000000000000 2025 0.0000000000000 2026 0.0000000000000 2027 6.5077319296329 2028 0.3299530644918 2029 2.2526764371806 2030 18.5220062612628 2031 3.2995306449178 2032 20.5013813047541 2033 5.6770982654583 2034 31.2871727386197 2035 14.0166533869016 2036 0.0000000000000 2037 12.7050813719603 2038 0.0000000000000 2039 0.0000000000000 2040 0.0000000000000 2041 0.0000000000000 2042 0.0000000000000 2043 13.0154638592658 2044 11.2633821859031 2045 0.0000000000000 2046 3.0035685829075 2047 18.0214114974449 2048 3.2995306449178 2049 9.8175628783330 2050 5.9758929110088 2051 31.2871727386197 2052 24.5291434270778 2053 0.0000000000000 2054 4.0425258910783 2055 0.0000000000000 2056 0.6599061289836 2057 7.7592188391777 2058 0.0000000000000 2059 0.9898591934753 2060 2.5029738190896 2061 6.0071371658150 2062 0.0000000000000 2063 0.0000000000000 2064 0.0000000000000 2065 0.0000000000000 2066 0.0000000000000 2067 0.0000000000000 2068 0.0000000000000 2069 0.0000000000000 2070 0.0000000000000 2071 0.0000000000000 2072 8.2598136029956 2073 0.0000000000000 2074 9.5113005125404 2075 20.7746826984435 2076 3.2995306449178 2077 21.9451405515678 2078 3.8843303921557 2079 23.7782512813509 2080 12.0142743316300 2081 0.9898591934753 2082 5.4862851378919 2083 0.0000000000000 2084 0.0000000000000 2085 0.0000000000000 2086 0.0000000000000 2087 0.0000000000000 2088 6.0071371658150 2089 2.7532712009985 2090 0.0000000000000 2091 0.0000000000000 2092 0.0000000000000 2093 0.0000000000000 2094 2.7532712009985 2095 3.5041633467254 2096 0.0000000000000 2097 0.2502973819090 2098 0.0000000000000 2099 0.0000000000000 2100 9.5113005125404 2101 1.2514869095448 2102 0.0000000000000 2103 0.0000000000000 2104 0.0000000000000 2105 0.0000000000000 2106 0.0000000000000 2107 0.0000000000000 2108 0.0000000000000 2109 0.0000000000000 2110 0.0000000000000 2111 0.0000000000000 2112 0.0000000000000 2113 0.0000000000000 2114 0.2502973819090 2115 0.0000000000000 2116 0.0000000000000 2117 0.0000000000000 2118 0.0000000000000 2119 0.0000000000000 2120 2.7532712009985 2121 0.0000000000000 2122 4.2550554924523 2123 17.0202219698091 2124 0.0000000000000 2125 8.0095162210866 2126 0.0000000000000 2127 0.0000000000000 2128 7.2586240753598 2129 17.5208167336270 2130 0.0000000000000 2131 1.2514869095448 2132 0.0000000000000 2133 0.2987946455504 2134 25.7806303366226 2135 21.7758722260793 2136 15.2681402964464 2137 0.0000000000000 2138 10.6838184264212 2139 0.0000000000000 2140 0.0000000000000 2141 0.0000000000000 2142 0.0000000000000 2143 0.0000000000000 2144 0.0000000000000 2145 0.0000000000000 2146 0.0000000000000 2147 5.2562450200881 2148 0.7508921457269 2149 0.0000000000000 2150 0.0000000000000 2151 9.2610031306314 2152 0.0000000000000 2153 0.0000000000000 2154 0.6599061289836 2155 5.3783036199079 2156 14.0166533869016 2157 14.0166533869016 2158 0.0000000000000 2159 0.0000000000000 2160 13.2657612411747 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 2.2526764371806 2173 0.0000000000000 2174 0.0000000000000 2175 0.0000000000000 2176 0.0000000000000 2177 0.0000000000000 2178 2.5987666442646 2179 0.0000000000000 2180 0.0000000000000 2181 0.0000000000000 2182 2.7532712009985 2183 0.0000000000000 2184 2.5029738190896 2185 0.3299530644918 2186 0.2502973819090 2187 4.2550554924523 2188 3.5041633467254 2189 0.0000000000000 2190 0.0000000000000 2191 0.0000000000000 2192 0.0000000000000 2193 1.2514869095448 2194 0.0000000000000 2195 1.5017842914537 2196 0.0000000000000 2197 8.9513073302448 2198 0.0000000000000 2199 0.0000000000000 2200 0.0000000000000 2201 1.0011895276358 2202 0.0000000000000 2203 6.7580293115418 2204 0.7508921457269 2205 0.0000000000000 2206 9.2610031306314 2207 0.0000000000000 2208 0.0000000000000 2209 7.0083266934508 2210 5.0059476381791 2211 0.5975892911009 2212 3.0035685829075 2213 9.2386858057698 2214 8.3662500754123 2215 21.0249800803524 2216 25.7806303366226 2217 8.0674554298619 2218 19.2728984069897 2219 20.7746826984435 2220 0.3299530644918 2221 2.5987666442646 2222 0.5975892911009 2223 0.0000000000000 2224 0.0000000000000 2225 0.2502973819090 2226 0.0000000000000 2227 0.0000000000000 2228 0.0000000000000 2229 0.0000000000000 2230 0.5005947638179 2231 0.0000000000000 2232 0.0000000000000 2233 0.0000000000000 2234 1.5017842914537 2235 0.0000000000000 2236 0.0000000000000 2237 4.2893898383931 2238 9.7615978944493 2239 1.7927678733026 2240 8.0095162210866 2241 0.0000000000000 2242 0.0000000000000 2243 6.0071371658150 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 0.0000000000000 2253 0.0000000000000 2254 0.0000000000000 2255 0.0000000000000 2256 2.7532712009985 2257 0.0000000000000 2258 1.7520816733627 2259 21.0249800803524 2260 4.2893898383931 2261 11.5500739745094 2262 21.9451405515678 2263 0.0000000000000 2264 25.6989145932833 2265 0.0000000000000 2266 0.0000000000000 2267 0.0000000000000 2268 15.2681402964464 2269 0.0000000000000 2270 0.0000000000000 2271 9.5113005125404 2272 12.2645717135389 2273 1.6497653224589 2274 9.8175628783330 2275 0.0000000000000 2276 0.0000000000000 2277 0.0000000000000 2278 7.2586240753598 2279 0.0000000000000 2280 0.0000000000000 2281 0.0000000000000 2282 0.0000000000000 2283 0.0000000000000 2284 0.0000000000000 2285 0.0000000000000 2286 0.0000000000000 2287 0.0000000000000 2288 0.0000000000000 2289 0.0000000000000 2290 0.0000000000000 2291 0.0000000000000 2292 0.0000000000000 2293 0.0000000000000 2294 3.9594367739014 2295 6.9300443847056 2296 0.8963839366513 2297 2.7532712009985 2298 0.0000000000000 2299 13.0154638592658 2300 0.0000000000000 2301 2.5029738190896 2302 15.2681402964464 2303 0.0000000000000 2304 10.5124900401762 2305 0.0000000000000 2306 0.0000000000000 2307 18.0214114974449 2308 11.5136795678120 2309 0.0000000000000 2310 0.0000000000000 2311 7.5089214572687 2312 0.2987946455504 2313 11.5136795678120 2314 2.0023790552717 2315 26.2812251004405 2316 5.6092020963603 2317 44.4677848018610 2318 32.0514552792635 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 NB-update: atom-based nb list 247422 Number of SA arcs generated 33431 Number of SA arc points exposed 17666 Number of trimer arc points exposed 902 with resolution (A) = .125000E+00 ======== 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 12.0000000000000 Grid Constants Grid dimension 23 25 27 Grid spacing set to 4.000 Grid boundary -48.000 48.000 -52.000 52.000 -56.500 55.500 Dielectric Map Use cavity radii in the prmtop file Use probe-based SES definition Compute SAS/SAR every 1 steps Solvent probe radius 1.40000000000000 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 : 13 Norm of the constant vector: 11424.5253616290 Norm of the residual vector: 11.1475805460056 Convergence achieved : 9.7575874648117523E-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 12.0000000000000 Grid Constants Grid dimension 31 31 33 Grid spacing set to 0.500 Grid boundary -14.000 2.000 -16.000 0.000 -15.500 1.500 Dielectric Map Use cavity radii in the prmtop file Use probe-based SES definition Compute SAS/SAR every 1 steps Solvent probe radius 1.40000000000000 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 : 16 Norm of the constant vector: 1352072.9022059513 Norm of the residual vector: 1062.2046807578495 Convergence achieved : 7.8561198809977461E-04 final eelrf/ionene in kcal/mol -0.3679E+02 0.0000E+00 final eelself in kcal/mol 0.1697E+03 final eelcoul in kcal/mol -0.4024E+02 NSTEP = 1 TIME(PS) = 0.000 TEMP(K) = 0.00 PRESS = 0.0 Etot = -6428.4101 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 = -529.8249 EELEC = -5898.5852 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 = -6428.4101 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 = -529.8249 EELEC = -5898.5852 EPB = 0.0000 RESTRAINT = 0.0000 ECAVITY= 0.0000 EDISPER = 0.0000 ------------------------------------------------------------------------------ -------------------------------------------------------------------------------- 5. TIMINGS -------------------------------------------------------------------------------- | Total time 1.53 | Read prm/crd time 0.06 | Force time 1.46 | Nonbond force 1.46 | PB Nonbond 1.46 | PB NB list 0.15 | PB FD grid 0.00 | PB Sasa 0.09 | PB FD force 0.24 | PB Set linear sys 0.13 | PB Solver 0.11 | PB Direct 0.01 | PB SA srf 0.08 | PB SA arc 0.88 | PB SA arc setup 0.01 | PB circle 0.65 | PB exclude 0.23 | PB exmol 0.13 | PB exmol setup 0.00 | PB exmol part b 0.04 | PB exmol part c 0.01 | PB exmol part d 0.00 | PB exmol part e 0.02 | PB exmol part f 0.05 | PB epsbnd 0.00 | PB epsmap 0.00 | Job began at 16:51:25.154 on 02/14/2014 | Setup done at 16:51:25.215 on 02/14/2014 | Run done at 16:51:26.679 on 02/14/2014 | wallclock() was called 90 times