Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ida_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N.A ARG 25.A O no hydrogen 3.030 N/A SER 4.A N.B ARG 25.A O no hydrogen 3.026 N/A ALA 6.A N LEU 23.A O no hydrogen 3.078 N/A ASN 8.A N ASP 22.A OD1 no hydrogen 3.164 N/A VAL 9.A N VAL 21.A O no hydrogen 2.936 N/A VAL 11.A N LEU 19.A O no hydrogen 2.901 N/A MET 13.A N VAL 17.A O no hydrogen 2.859 N/A ARG 14.A N ASP 93.A OD2 no hydrogen 3.007 N/A ARG 14.A NE ASP 93.A OD1 no hydrogen 3.309 N/A ARG 14.A NE ASP 93.A OD2 no hydrogen 3.014 N/A ARG 14.A NH2 GLU 92.A OE1 no hydrogen 3.067 N/A ARG 14.A NH2 ASP 93.A OD1 no hydrogen 2.992 N/A GLY 16.A N MET 13.A O no hydrogen 3.068 N/A VAL 17.A N ASP 15.A OD1 no hydrogen 3.344 N/A ARG 18.A N GLU 78.A OE1 no hydrogen 3.133 N/A ARG 18.A NH2 GLU 78.A OE2 no hydrogen 3.237 N/A LEU 19.A N VAL 11.A O no hydrogen 2.913 N/A ALA 20.A N SER 77.A OG no hydrogen 2.927 N/A VAL 21.A N VAL 9.A O no hydrogen 2.951 N/A ASP 22.A N ILE 68.A O no hydrogen 2.960 N/A LEU 23.A N ALA 6.A O no hydrogen 2.937 N/A TYR 24.A N VAL 66.A O no hydrogen 2.903 N/A ARG 25.A N SER 4.A O.A no hydrogen 3.015 N/A ARG 25.A N SER 4.A O.B no hydrogen 3.006 N/A ASP 27.A N ASN 2.A O no hydrogen 3.061 N/A VAL 32.A N TRP 103.A O no hydrogen 2.904 N/A VAL 34.A N ASN 107.A O no hydrogen 3.053 N/A LEU 35.A N ALA 65.A O no hydrogen 2.880 N/A LEU 36.A N GLY 109.A O no hydrogen 2.891 N/A VAL 37.A N VAL 67.A O no hydrogen 2.925 N/A ARG 38.A NE GLN 69.A OE1 no hydrogen 2.873 N/A ARG 38.A NH1 ASP 87.A OD1 no hydrogen 2.992 N/A ARG 38.A NH2 GLN 69.A OE1 no hydrogen 3.082 N/A ASN 39.A N GLN 69.A O no hydrogen 2.992 N/A TYR 41.A N ASN 39.A OD1 no hydrogen 2.829 N/A LYS 43.A N ASP 70.A OD1 no hydrogen 2.882 N/A LYS 43.A NZ ASN 8.A OD1 no hydrogen 2.714 N/A LYS 43.A NZ ASP 22.A OD1 no hydrogen 2.906 N/A PHE 44.A N ASP 42.A OD1 no hydrogen 3.031 N/A ASP 45.A N ASP 42.A O no hydrogen 2.977 N/A VAL 46.A N PHE 44.A O no hydrogen 3.052 N/A SER 50.A N VAL 46.A O no hydrogen 3.280 N/A SER 50.A OG VAL 46.A O no hydrogen 2.708 N/A GLN 52.A N TRP 49.A O no hydrogen 3.016 N/A GLN 52.A NE2 ALA 48.A O no hydrogen 3.070 N/A GLN 52.A NE2 THR 51.A OG1 no hydrogen 3.158 N/A SER 53.A N SER 50.A O no hydrogen 3.006 N/A SER 53.A OG THR 54.A OG1 no hydrogen 3.215 N/A THR 54.A OG1 SER 53.A OG no hydrogen 3.215 N/A ASN 55.A N THR 308.A OG1 no hydrogen 2.901 N/A ASN 55.A ND2 GLN 305.A OE1.A no hydrogen 3.251 N/A TRP 56.A NE1 SER 50.A OG no hydrogen 2.971 N/A GLU 58.A N.A ASN 55.A O no hydrogen 3.112 N/A GLU 58.A N.B ASN 55.A O no hydrogen 3.104 N/A PHE 59.A N TRP 56.A O no hydrogen 3.003 N/A ARG 61.A N.A LEU 57.A O no hydrogen 3.011 N/A ARG 61.A N.B LEU 57.A O no hydrogen 3.013 N/A ARG 61.A N.C LEU 57.A O no hydrogen 3.022 N/A ASP 62.A N GLU 58.A O.A no hydrogen 3.042 N/A ASP 62.A N GLU 58.A O.B no hydrogen 3.269 N/A ASP 62.A N PHE 59.A O no hydrogen 3.256 N/A GLY 63.A N VAL 60.A O no hydrogen 3.210 N/A TYR 64.A N PHE 59.A O no hydrogen 3.039 N/A TYR 64.A OH ASP 316.A OD1 no hydrogen 2.743 N/A ALA 65.A N PRO 33.A O no hydrogen 3.041 N/A VAL 66.A N TYR 24.A O no hydrogen 2.982 N/A VAL 67.A N LEU 35.A O no hydrogen 2.864 N/A ILE 68.A N ASP 22.A O no hydrogen 3.224 N/A GLN 69.A N VAL 37.A O no hydrogen 2.995 N/A GLN 69.A NE2 THR 94.A OG1 no hydrogen 3.005 N/A ASP 70.A N ALA 20.A O no hydrogen 3.049 N/A THR 71.A N ASN 39.A O no hydrogen 3.256 N/A ARG 72.A NE ASP 90.A OD2 no hydrogen 2.987 N/A ARG 72.A NH1 ASP 15.A OD2 no hydrogen 2.972 N/A ARG 72.A NH2 ASP 15.A OD1 no hydrogen 3.261 N/A ARG 72.A NH2 ASP 15.A OD2 no hydrogen 3.554 N/A ARG 72.A NH2 ASP 90.A OD1 no hydrogen 2.993 N/A GLY 73.A N GLU 78.A O no hydrogen 2.994 N/A LEU 74.A N THR 71.A O no hydrogen 3.362 N/A ALA 76.A N ASP 70.A OD2 no hydrogen 3.188 N/A SER 77.A N LEU 74.A O no hydrogen 3.078 N/A SER 77.A OG ASP 70.A O no hydrogen 2.769 N/A GLU 78.A N ARG 18.A O no hydrogen 3.004 N/A HIS 84.A N TYR 115.A OH no hydrogen 3.239 N/A VAL 85.A N PRO 83.A O no hydrogen 2.919 N/A ASP 87.A N HIS 84.A O no hydrogen 3.405 N/A ASP 90.A N ASP 86.A O no hydrogen 3.078 N/A ALA 91.A N ASP 87.A O no hydrogen 3.100 N/A GLU 92.A N GLU 88.A O no hydrogen 3.116 N/A ASP 93.A N ALA 89.A O no hydrogen 3.051 N/A THR 94.A N ASP 90.A O no hydrogen 3.069 N/A THR 94.A OG1 ASP 90.A O no hydrogen 2.812 N/A LEU 95.A N ALA 91.A O no hydrogen 2.952 N/A SER 96.A N GLU 92.A O no hydrogen 3.152 N/A SER 96.A OG GLU 92.A O no hydrogen 3.048 N/A TRP 97.A N ASP 93.A O no hydrogen 3.168 N/A ILE 98.A N THR 94.A O no hydrogen 3.064 N/A LEU 99.A N LEU 95.A O no hydrogen 3.112 N/A GLU 100.A N.A SER 96.A O no hydrogen 3.271 N/A GLU 100.A N.A TRP 97.A O no hydrogen 3.142 N/A GLU 100.A N.B SER 96.A O no hydrogen 3.270 N/A GLU 100.A N.B TRP 97.A O no hydrogen 3.160 N/A GLN 101.A N ILE 98.A O no hydrogen 3.132 N/A GLN 101.A NE2 TRP 97.A O no hydrogen 2.962 N/A CYS 104.A N GLN 101.A O no hydrogen 3.302 N/A ASP 105.A N VAL 32.A O no hydrogen 2.985 N/A ASN 107.A N ASP 105.A OD1 no hydrogen 3.123 N/A ASN 107.A ND2 ASP 105.A OD1 no hydrogen 3.051 N/A VAL 108.A N GLY 130.A O no hydrogen 2.988 N/A GLY 109.A N VAL 34.A O no hydrogen 2.864 N/A MET 110.A N ALA 133.A O no hydrogen 3.285 N/A SER 114.A N SER 137.A O no hydrogen 2.973 N/A SER 114.A OG HIS 284.A NE2 no hydrogen 2.821 N/A TYR 115.A OH ASP 87.A OD2 no hydrogen 3.326 N/A LEU 116.A N VAL 113.A O no hydrogen 3.013 N/A GLY 117.A N SER 114.A O no hydrogen 2.869 N/A VAL 118.A N SER 114.A O no hydrogen 2.987 N/A THR 119.A N TYR 115.A O no hydrogen 3.262 N/A THR 119.A OG1 TYR 115.A O no hydrogen 2.975 N/A GLN 120.A N GLY 117.A O no hydrogen 3.054 N/A GLN 120.A NE2 LEU 116.A O no hydrogen 3.031 N/A GLN 120.A NE2 ALA 135.A O no hydrogen 3.197 N/A GLN 122.A N VAL 118.A O no hydrogen 3.292 N/A GLN 122.A NE2 HIS 84.A O no hydrogen 3.080 N/A ALA 123.A N THR 119.A O no hydrogen 3.105 N/A ALA 124.A N GLN 120.A O no hydrogen 2.974 N/A SER 126.A N ALA 123.A O no hydrogen 3.243 N/A SER 126.A OG ALA 123.A O no hydrogen 2.848 N/A LEU 131.A N VAL 128.A O no hydrogen 3.214 N/A LYS 132.A N.A VAL 108.A O no hydrogen 2.895 N/A LYS 132.A N.B VAL 108.A O no hydrogen 2.908 N/A LYS 132.A NZ.A GLY 129.A O no hydrogen 2.977 N/A LYS 132.A NZ.B ASN 107.A OD1 no hydrogen 2.796 N/A ILE 134.A N PRO 247.A O no hydrogen 3.084 N/A ALA 135.A N GLN 120.A OE1 no hydrogen 2.868 N/A SER 137.A N GLY 112.A O no hydrogen 3.121 N/A MET 138.A N.A THR 251.A O no hydrogen 2.945 N/A MET 138.A N.B THR 251.A O no hydrogen 2.973 N/A SER 140.A OG ASP 142.A O no hydrogen 2.888 N/A SER 140.A OG ALA 146.A O no hydrogen 3.120 N/A ASP 142.A N SER 140.A OG no hydrogen 2.998 N/A TYR 144.A OH PRO 226.A O no hydrogen 2.885 N/A ARG 145.A N ASP 142.A OD1 no hydrogen 3.222 N/A ARG 145.A NE GLU 261.A OE2 no hydrogen 2.882 N/A ALA 146.A N ASP 142.A O no hydrogen 3.066 N/A TRP 148.A N LEU 143.A O no hydrogen 3.366 N/A TRP 148.A NE1 HIS 84.A NE2 no hydrogen 3.153 N/A TYR 149.A N TYR 144.A O no hydrogen 2.926 N/A TYR 149.A OH VAL 222.A O no hydrogen 2.790 N/A GLY 153.A N GLY 150.A O no hydrogen 3.242 N/A LEU 155.A N ASP 530.A OD1 no hydrogen 3.335 N/A SER 156.A N TRP 148.A O no hydrogen 2.944 N/A SER 156.A OG TYR 149.A O no hydrogen 2.916 N/A GLU 158.A N PRO 527.A O no hydrogen 3.244 N/A LEU 160.A N SER 156.A O no hydrogen 3.246 N/A LEU 161.A N VAL 157.A O no hydrogen 3.096 N/A GLY 162.A N GLU 158.A O no hydrogen 3.128 N/A TRP 163.A N ALA 159.A O no hydrogen 3.087 N/A TRP 163.A NE1 TYR 41.A OH no hydrogen 3.033 N/A SER 164.A N LEU 160.A O no hydrogen 3.096 N/A SER 164.A OG LEU 160.A O no hydrogen 2.830 N/A ALA 165.A N LEU 161.A O no hydrogen 3.138 N/A LYS 166.A N.A GLY 162.A O no hydrogen 3.120 N/A LYS 166.A N.B GLY 162.A O no hydrogen 3.117 N/A ILE 167.A N TRP 163.A O no hydrogen 2.992 N/A GLY 168.A N SER 164.A O no hydrogen 3.016 N/A THR 169.A N ALA 165.A O no hydrogen 3.032 N/A THR 169.A OG1 ALA 165.A O no hydrogen 2.937 N/A GLN 170.A N LYS 166.A O.A no hydrogen 3.314 N/A GLN 170.A N LYS 166.A O.B no hydrogen 3.350 N/A GLN 170.A NE2 PRO 40.A O no hydrogen 2.905 N/A LEU 171.A N ILE 167.A O no hydrogen 3.225 N/A ILE 172.A N GLY 168.A O no hydrogen 3.366 N/A THR 173.A N THR 169.A O no hydrogen 3.231 N/A THR 173.A OG1 THR 169.A O no hydrogen 3.254 N/A THR 173.A OG1 GLN 170.A O no hydrogen 3.166 N/A SER 174.A OG GLN 170.A O no hydrogen 2.917 N/A SER 174.A OG LEU 171.A O no hydrogen 3.243 N/A ARG 175.A N ILE 172.A O no hydrogen 3.372 N/A ARG 175.A NE ASP 182.A OD1 no hydrogen 3.315 N/A ARG 179.A N ASP 182.A OD2 no hydrogen 2.926 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.720 N/A ASP 182.A N ARG 179.A O no hydrogen 3.134 N/A ASP 185.A N GLU 181.A O no hydrogen 3.046 N/A PHE 186.A N ASP 182.A O no hydrogen 3.014 N/A VAL 187.A N ALA 183.A O no hydrogen 3.458 N/A GLN 188.A N ALA 184.A O no hydrogen 3.173 N/A LEU 189.A N ASP 185.A O no hydrogen 3.042 N/A ALA 190.A N PHE 186.A O no hydrogen 3.185 N/A ALA 191.A N VAL 187.A O no hydrogen 3.189 N/A ILE 192.A N GLN 188.A O no hydrogen 3.312 N/A LEU 193.A N LEU 189.A O no hydrogen 3.184 N/A ASN 194.A N ALA 190.A O no hydrogen 2.993 N/A ASP 195.A N ILE 192.A O no hydrogen 3.059 N/A GLY 198.A N ASP 195.A OD1 no hydrogen 3.160 N/A ALA 199.A N ASP 195.A O no hydrogen 3.148 N/A ALA 200.A N VAL 196.A O no hydrogen 3.025 N/A SER 201.A N GLY 198.A O no hydrogen 3.237 N/A SER 201.A OG ALA 197.A O no hydrogen 2.848 N/A THR 203.A OG1 GLN 543.A OE1 no hydrogen 3.403 N/A ALA 206.A N ALA 540.A O no hydrogen 2.998 N/A GLU 207.A N PRO 204.A O no hydrogen 3.275 N/A GLN 208.A NE2 LEU 205.A O.A no hydrogen 2.903 N/A GLN 208.A NE2 LEU 205.A O.B no hydrogen 2.910 N/A GLY 212.A N GLN 208.A O no hydrogen 2.880 N/A ARG 213.A N LEU 210.A O no hydrogen 3.204 N/A ARG 213.A NH1 ASP 185.A OD2 no hydrogen 3.092 N/A ARG 213.A NH2 ASP 185.A OD1 no hydrogen 3.060 N/A LEU 214.A N LEU 210.A O no hydrogen 3.178 N/A ILE 215.A N.A LEU 211.A O no hydrogen 2.852 N/A ILE 215.A N.B LEU 211.A O no hydrogen 2.841 N/A VAL 218.A N.A ILE 215.A O.A no hydrogen 3.042 N/A VAL 218.A N.A ILE 215.A O.B no hydrogen 3.160 N/A VAL 218.A N.B ILE 215.A O.A no hydrogen 3.052 N/A VAL 218.A N.B ILE 215.A O.B no hydrogen 3.171 N/A ILE 219.A N PRO 216.A O no hydrogen 3.154 N/A ASP 220.A N PRO 216.A O no hydrogen 3.038 N/A GLN 221.A N TRP 217.A O no hydrogen 3.010 N/A GLN 221.A NE2 SER 231.A OG no hydrogen 3.046 N/A VAL 222.A N TRP 217.A O no hydrogen 3.293 N/A VAL 223.A N VAL 218.A O.A no hydrogen 3.184 N/A VAL 223.A N VAL 218.A O.B no hydrogen 3.069 N/A ASP 224.A N ILE 219.A O no hydrogen 3.012 N/A HIS 225.A N VAL 222.A O no hydrogen 3.352 N/A HIS 225.A ND1 ASP 229.A OD2 no hydrogen 2.802 N/A ASN 228.A N LEU 486.A O no hydrogen 3.012 N/A ASP 229.A N ASP 227.A O no hydrogen 2.828 N/A SER 231.A N ASP 229.A OD1 no hydrogen 3.131 N/A SER 231.A OG ASP 229.A OD1 no hydrogen 2.740 N/A TRP 232.A NE1 HIS 225.A O no hydrogen 3.007 N/A GLN 233.A N.A ASP 229.A O no hydrogen 3.009 N/A GLN 233.A N.B ASP 229.A O no hydrogen 3.034 N/A SER 234.A N.A GLU 230.A O.A no hydrogen 3.214 N/A SER 234.A N.A GLU 230.A O.B no hydrogen 3.126 N/A SER 234.A N.B GLU 230.A O.A no hydrogen 2.904 N/A SER 234.A N.B GLU 230.A O.B no hydrogen 2.844 N/A SER 234.A OG.B GLU 230.A O.A no hydrogen 3.160 N/A SER 234.A OG.B GLU 230.A O.B no hydrogen 3.269 N/A ILE 235.A N TRP 232.A O no hydrogen 3.227 N/A SER 236.A N TRP 232.A O no hydrogen 3.219 N/A SER 236.A N GLN 233.A O.A no hydrogen 3.353 N/A SER 236.A N GLN 233.A O.B no hydrogen 3.322 N/A SER 236.A OG ASP 142.A OD2 no hydrogen 3.150 N/A LEU 237.A N ALA 141.A O no hydrogen 2.901 N/A ARG 240.A N LEU 237.A O no hydrogen 3.044 N/A ARG 240.A NH1 GLU 88.A OE2 no hydrogen 3.179 N/A ARG 240.A NH2 GLU 88.A OE1 no hydrogen 3.112 N/A ARG 240.A NH2 SER 236.A O no hydrogen 3.010 N/A LEU 241.A N.A PHE 238.A O no hydrogen 3.116 N/A LEU 241.A N.B PHE 238.A O no hydrogen 3.115 N/A GLY 243.A N ARG 240.A O no hydrogen 3.360 N/A LEU 244.A N LEU 241.A O.A no hydrogen 3.224 N/A LEU 244.A N LEU 241.A O.B no hydrogen 3.191 N/A ALA 248.A N ASP 274.A O no hydrogen 3.266 N/A LEU 249.A N ILE 134.A O no hydrogen 3.024 N/A ILE 250.A N ARG 276.A O no hydrogen 2.955 N/A THR 251.A N PRO 136.A O no hydrogen 3.415 N/A ALA 252.A N VAL 278.A O.A no hydrogen 2.931 N/A ALA 252.A N VAL 278.A O.B no hydrogen 2.986 N/A TRP 254.A N GLY 280.A O no hydrogen 2.895 N/A TRP 254.A NE1 PHE 335.A O no hydrogen 2.987 N/A TYR 255.A N TRP 282.A O no hydrogen 3.034 N/A TYR 255.A OH ALA 472.A O no hydrogen 2.706 N/A ASP 256.A N GLY 253.A O no hydrogen 3.089 N/A PHE 258.A N ASP 256.A OD2 no hydrogen 3.158 N/A VAL 259.A N ASP 256.A O no hydrogen 3.113 N/A SER 262.A N PHE 258.A O no hydrogen 2.884 N/A SER 262.A OG ALA 139.A O no hydrogen 2.838 N/A SER 262.A OG PHE 258.A O no hydrogen 3.221 N/A LEU 263.A N VAL 259.A O no hydrogen 3.173 N/A ARG 264.A N.A GLY 260.A O no hydrogen 3.195 N/A ARG 264.A N.B GLY 260.A O no hydrogen 3.201 N/A ARG 264.A NE.A GLU 261.A OE1 no hydrogen 3.294 N/A ARG 264.A NH2.A GLU 261.A OE1 no hydrogen 2.769 N/A THR 265.A N GLU 261.A O no hydrogen 3.227 N/A THR 265.A OG1 SER 262.A O no hydrogen 2.754 N/A VAL 267.A N LEU 263.A O no hydrogen 3.336 N/A ALA 268.A N ARG 264.A O.A no hydrogen 3.045 N/A ALA 268.A N ARG 264.A O.B no hydrogen 3.202 N/A VAL 269.A N THR 265.A O no hydrogen 3.282 N/A VAL 269.A N PHE 266.A O no hydrogen 3.359 N/A LYS 270.A N PHE 266.A O no hydrogen 3.133 N/A LYS 270.A NZ ASP 347.A OD1 no hydrogen 3.083 N/A LYS 270.A NZ ASP 347.A OD2 no hydrogen 3.539 N/A LYS 270.A NZ TRP 348.A O no hydrogen 2.938 N/A ASN 272.A N VAL 269.A O no hydrogen 3.377 N/A ASN 272.A ND2 LEU 244.A O no hydrogen 3.488 N/A ARG 276.A N ALA 248.A O no hydrogen 3.025 N/A ARG 276.A NE ASP 274.A OD1 no hydrogen 2.947 N/A ARG 276.A NH1 VAL 329.A O no hydrogen 2.929 N/A ARG 276.A NH1 PRO 330.A O no hydrogen 3.198 N/A ARG 276.A NH2 ASP 274.A OD1 no hydrogen 3.374 N/A LEU 277.A N LYS 331.A O no hydrogen 3.029 N/A VAL 278.A N.A ILE 250.A O no hydrogen 3.003 N/A VAL 278.A N.B ILE 250.A O no hydrogen 3.020 N/A VAL 279.A N ARG 333.A O no hydrogen 3.076 N/A GLY 280.A N ALA 252.A O no hydrogen 3.206 N/A TRP 282.A NE1 ALA 300.A O no hydrogen 2.841 N/A SER 283.A N ASN 286.A O no hydrogen 3.176 N/A SER 283.A OG GLY 408.A O no hydrogen 2.864 N/A HIS 284.A ND1 ASP 256.A OD1 no hydrogen 2.594 N/A HIS 284.A NE2 SER 114.A OG no hydrogen 2.821 N/A SER 285.A OG GLY 408.A O no hydrogen 3.544 N/A ASN 286.A N SER 283.A O no hydrogen 3.347 N/A ASN 286.A ND2 ARG 290.A O no hydrogen 3.030 N/A ASN 286.A ND2 ASP 409.A O no hydrogen 3.115 N/A THR 288.A N ASN 286.A OD1 no hydrogen 3.021 N/A THR 288.A OG1 ASN 286.A OD1 no hydrogen 2.757 N/A ARG 290.A N THR 288.A OG1 no hydrogen 3.000 N/A ASN 291.A N ARG 294.A O no hydrogen 2.967 N/A ASN 291.A ND2 ARG 294.A O no hydrogen 3.667 N/A ARG 294.A N ASN 291.A O no hydrogen 3.471 N/A ARG 294.A NH1 ASP 340.A OD2 no hydrogen 3.066 N/A ARG 294.A NH2 ASP 340.A OD1 no hydrogen 3.061 N/A ARG 294.A NH2 ASP 340.A OD2 no hydrogen 3.489 N/A LYS 295.A NZ ASN 291.A O no hydrogen 2.907 N/A PHE 296.A N GLY 289.A O no hydrogen 3.013 N/A ALA 300.A N GLY 297.A O no hydrogen 3.031 N/A THR 301.A N ILE 298.A O.A no hydrogen 3.273 N/A THR 301.A N ILE 298.A O.B no hydrogen 3.237 N/A THR 301.A OG1 THR 288.A O no hydrogen 2.973 N/A THR 301.A OG1 ILE 298.A O.A no hydrogen 3.332 N/A THR 301.A OG1 ILE 298.A O.B no hydrogen 3.290 N/A TYR 302.A N LEU 287.A O no hydrogen 3.053 N/A TYR 302.A OH SER 53.A O no hydrogen 2.755 N/A GLN 305.A NE2.A GLU 58.A OE1.A no hydrogen 3.317 N/A GLN 305.A NE2.A GLU 58.A OE1.B no hydrogen 3.206 N/A ALA 307.A N PRO 303.A O no hydrogen 2.953 N/A THR 308.A N ILE 304.A O no hydrogen 3.004 N/A THR 308.A OG1 ILE 304.A O no hydrogen 2.745 N/A THR 309.A N GLN 305.A O.A no hydrogen 3.043 N/A THR 309.A N GLN 305.A O.B no hydrogen 3.112 N/A THR 309.A OG1 GLN 305.A O.A no hydrogen 3.267 N/A THR 309.A OG1 GLN 305.A O.B no hydrogen 3.432 N/A MET 310.A N GLU 306.A O no hydrogen 3.014 N/A HIS 311.A N ALA 307.A O no hydrogen 2.972 N/A HIS 311.A ND1 ALA 307.A O no hydrogen 2.867 N/A LYS 312.A N.A THR 308.A O no hydrogen 3.071 N/A LYS 312.A N.B THR 308.A O no hydrogen 3.053 N/A LYS 312.A NZ.A GLU 58.A OE2.A no hydrogen 2.819 N/A LYS 312.A NZ.B ASP 62.A OD2 no hydrogen 3.058 N/A LYS 312.A NZ.B ASP 316.A OD2 no hydrogen 2.798 N/A ALA 313.A N THR 309.A O no hydrogen 3.123 N/A PHE 314.A N MET 310.A O no hydrogen 3.023 N/A PHE 315.A N HIS 311.A O no hydrogen 2.976 N/A ASP 316.A N LYS 312.A O.A no hydrogen 2.925 N/A ASP 316.A N LYS 312.A O.B no hydrogen 2.894 N/A ARG 317.A N ALA 313.A O no hydrogen 3.094 N/A ARG 317.A NH1 ARG 317.A O no hydrogen 3.056 N/A HIS 318.A N PHE 314.A O no hydrogen 3.227 N/A HIS 318.A NE2 ASP 274.A OD2 no hydrogen 2.897 N/A LEU 319.A N PHE 315.A O no hydrogen 2.774 N/A ARG 320.A NH1.A ASP 62.A OD2 no hydrogen 3.077 N/A ARG 320.A NH1.A ASP 316.A OD1 no hydrogen 2.949 N/A ARG 320.A NH2.A ASP 62.A O no hydrogen 2.818 N/A GLU 322.A N ASP 316.A O no hydrogen 3.191 N/A ALA 325.A N GLU 322.A O no hydrogen 3.137 N/A ALA 327.A N ASP 324.A O.A no hydrogen 3.194 N/A ALA 327.A N ASP 324.A O.B no hydrogen 3.219 N/A VAL 329.A N LEU 326.A O no hydrogen 3.171 N/A LYS 331.A NZ ASP 274.A OD1 no hydrogen 3.064 N/A LYS 331.A NZ ALA 275.A O no hydrogen 3.090 N/A VAL 332.A N GLU 345.A O no hydrogen 3.270 N/A ARG 333.A N LEU 277.A O no hydrogen 2.947 N/A ARG 333.A NH1 ASP 344.A OD1 no hydrogen 2.866 N/A LEU 334.A N ARG 343.A O no hydrogen 3.031 N/A PHE 335.A N VAL 279.A O no hydrogen 2.930 N/A VAL 336.A N GLU 341.A O no hydrogen 2.916 N/A MET 337.A N SER 508.A O no hydrogen 3.046 N/A GLY 338.A N ASP 340.A OD1 no hydrogen 2.958 N/A GLU 341.A N VAL 336.A O no hydrogen 3.249 N/A TRP 342.A NE1 ALA 299.A O no hydrogen 2.954 N/A ARG 343.A N LEU 334.A O no hydrogen 2.918 N/A ARG 343.A NE GLU 345.A OE2 no hydrogen 2.790 N/A ARG 343.A NH1 GLU 437.A OE1 no hydrogen 3.096 N/A ARG 343.A NH1 GLU 437.A OE2 no hydrogen 3.533 N/A ARG 343.A NH2 GLU 345.A OE2 no hydrogen 3.015 N/A ARG 343.A NH2 GLU 437.A OE2 no hydrogen 2.803 N/A GLU 345.A N VAL 332.A O no hydrogen 2.858 N/A TRP 348.A N ASP 347.A OD1 no hydrogen 2.973 N/A THR 353.A OG1 LEU 350.A O no hydrogen 2.752 N/A ALA 354.A N ILE 568.A O no hydrogen 3.040 N/A THR 356.A N LEU 566.A O no hydrogen 2.966 N/A THR 356.A OG1 ALA 354.A O no hydrogen 2.941 N/A PHE 358.A N ILE 564.A O.A no hydrogen 2.843 N/A PHE 358.A N ILE 564.A O.B no hydrogen 2.918 N/A TYR 359.A N SER 376.A O no hydrogen 2.736 N/A LEU 360.A N SER 562.A O no hydrogen 3.144 N/A GLY 361.A N THR 374.A O no hydrogen 3.069 N/A ALA 366.A N ASP 386.A OD1 no hydrogen 3.038 N/A ASN 367.A ND2 THR 387.A O no hydrogen 3.096 N/A ASN 367.A ND2 ASP 422.A O no hydrogen 2.999 N/A THR 368.A N VAL 424.A O no hydrogen 2.983 N/A THR 368.A OG1 ASN 367.A O no hydrogen 2.701 N/A THR 368.A OG1 THR 370.A OG1 no hydrogen 3.280 N/A SER 369.A N HIS 419.A O no hydrogen 3.097 N/A THR 370.A N THR 368.A OG1 no hydrogen 3.331 N/A THR 370.A OG1 THR 368.A OG1 no hydrogen 3.280 N/A GLY 371.A N THR 368.A O no hydrogen 3.211 N/A GLY 372.A N ALA 365.A O no hydrogen 3.052 N/A THR 374.A N GLY 361.A O no hydrogen 2.945 N/A LEU 375.A N SER 428.A O.A no hydrogen 3.046 N/A LEU 375.A N SER 428.A O.B no hydrogen 3.145 N/A SER 376.A N TYR 359.A O no hydrogen 3.262 N/A SER 378.A N SER 376.A OG no hydrogen 3.119 N/A SER 380.A OG.A LEU 360.A O no hydrogen 2.868 N/A SER 384.A N.A ARG 556.A O no hydrogen 2.845 N/A SER 384.A N.B ARG 556.A O no hydrogen 2.856 N/A ASP 386.A N ILE 554.A O no hydrogen 2.998 N/A TYR 388.A N ASN 552.A O no hydrogen 3.096 N/A TYR 388.A OH SER 523.A OG no hydrogen 2.807 N/A TYR 390.A N ALA 550.A O no hydrogen 2.856 N/A TYR 390.A OH ASN 532.A O no hydrogen 2.902 N/A ALA 393.A N ASP 391.A OD1 no hydrogen 3.036 N/A ASP 394.A N ASP 391.A O no hydrogen 2.874 N/A VAL 396.A N SER 524.A OG no hydrogen 2.973 N/A SER 398.A N PHE 526.A O no hydrogen 2.947 N/A SER 398.A OG ASN 525.A OD1 no hydrogen 2.771 N/A GLY 401.A N GLY 411.A O no hydrogen 2.927 N/A LEU 404.A N GLU 158.A OE2 no hydrogen 2.925 N/A PHE 405.A N GLU 158.A OE1 no hydrogen 2.784 N/A HIS 406.A N GLU 158.A OE1 no hydrogen 2.912 N/A ALA 413.A N GLY 411.A O no hydrogen 2.901 N/A GLN 415.A N ALA 470.A O no hydrogen 2.833 N/A GLN 415.A NE2 LEU 399.A O no hydrogen 3.150 N/A GLN 415.A NE2 ALA 413.A O no hydrogen 3.119 N/A ARG 416.A N ASP 414.A OD1 no hydrogen 3.237 N/A ARG 416.A NE ASP 414.A OD1 no hydrogen 3.480 N/A ARG 416.A NE ASP 414.A OD2 no hydrogen 3.044 N/A ARG 416.A NH2 ASP 414.A OD2 no hydrogen 3.062 N/A ILE 418.A N GLN 415.A O no hydrogen 3.098 N/A HIS 419.A N ARG 416.A O no hydrogen 3.203 N/A ARG 421.A N ILE 418.A O no hydrogen 3.366 N/A ARG 421.A NE ASP 423.A OD1 no hydrogen 2.909 N/A ARG 421.A NH1 ASP 394.A OD1 no hydrogen 3.229 N/A ARG 421.A NH2 ASP 394.A O no hydrogen 2.979 N/A ARG 421.A NH2 ASP 423.A OD1 no hydrogen 3.368 N/A ARG 421.A NH2 ASP 423.A OD2 no hydrogen 3.029 N/A VAL 424.A N ARG 421.A O no hydrogen 3.268 N/A LEU 425.A N VAL 521.A O no hydrogen 2.991 N/A CYS 426.A N ALA 366.A O no hydrogen 3.063 N/A TYR 427.A N VAL 519.A O.A no hydrogen 3.044 N/A TYR 427.A N VAL 519.A O.B no hydrogen 3.072 N/A TYR 427.A OH ASP 386.A OD2 no hydrogen 2.788 N/A SER 428.A N.A GLY 373.A O no hydrogen 3.235 N/A SER 428.A N.B GLY 373.A O no hydrogen 3.246 N/A THR 429.A N ILE 517.A O no hydrogen 3.003 N/A THR 429.A OG1 GLU 430.A O.A no hydrogen 2.943 N/A THR 429.A OG1 GLU 430.A O.B no hydrogen 2.924 N/A LEU 432.A N HIS 515.A O no hydrogen 3.022 N/A THR 433.A OG1.B ASP 434.A OD2 no hydrogen 3.489 N/A VAL 436.A N PHE 511.A O no hydrogen 3.068 N/A VAL 438.A N ASN 509.A O no hydrogen 2.906 N/A THR 439.A N PRO 567.A O no hydrogen 3.091 N/A THR 439.A OG1 GLU 437.A OE2 no hydrogen 2.808 N/A THR 439.A OG1 SER 508.A OG no hydrogen 2.870 N/A GLY 440.A N THR 507.A O no hydrogen 3.070 N/A VAL 442.A N LEU 505.A O no hydrogen 3.054 N/A ALA 444.A N ILE 502.A O no hydrogen 3.019 N/A ARG 445.A N.A HIS 563.A O no hydrogen 2.890 N/A ARG 445.A N.B HIS 563.A O no hydrogen 2.895 N/A ARG 445.A NH1.A SER 443.A OG no hydrogen 2.761 N/A ARG 445.A NH1.A ALA 444.A O no hydrogen 3.294 N/A LEU 446.A N VAL 500.A O no hydrogen 2.987 N/A PHE 447.A N SER 562.A OG no hydrogen 2.992 N/A VAL 448.A N TYR 498.A O no hydrogen 2.898 N/A SER 449.A N ARG 553.A O.A no hydrogen 3.105 N/A SER 449.A N ARG 553.A O.B no hydrogen 3.112 N/A SER 449.A OG HIS 555.A NE2 no hydrogen 2.943 N/A SER 450.A OG ASN 552.A OD1 no hydrogen 2.771 N/A SER 451.A N VAL 551.A O no hydrogen 3.155 N/A ALA 452.A N SER 450.A OG no hydrogen 3.055 N/A THR 455.A OG1 ASN 534.A OD1 no hydrogen 2.868 N/A PHE 457.A N VAL 478.A O no hydrogen 3.012 N/A THR 458.A N SER 522.A O no hydrogen 2.829 N/A ALA 459.A N GLY 476.A O no hydrogen 3.198 N/A LYS 460.A N.A GLN 520.A O no hydrogen 2.994 N/A LYS 460.A N.B GLN 520.A O no hydrogen 2.966 N/A LYS 460.A NZ.A GLN 415.A OE1 no hydrogen 2.709 N/A LYS 460.A NZ.A GLN 520.A OE1 no hydrogen 3.154 N/A LYS 460.A NZ.B GLN 415.A OE1 no hydrogen 2.943 N/A LEU 461.A N CYS 474.A O no hydrogen 2.892 N/A VAL 462.A N MET 518.A O no hydrogen 2.898 N/A ASP 463.A N ILE 471.A O no hydrogen 2.959 N/A VAL 464.A N.A ARG 516.A O no hydrogen 3.141 N/A VAL 464.A N.B ARG 516.A O no hydrogen 3.171 N/A PHE 465.A N ARG 469.A O no hydrogen 2.876 N/A GLY 468.A N PHE 465.A O no hydrogen 3.060 N/A ARG 469.A N ASP 467.A OD1.A no hydrogen 2.971 N/A ARG 469.A NE ASP 467.A OD1.A no hydrogen 3.271 N/A ARG 469.A NE ASP 467.A OD1.B no hydrogen 2.682 N/A ARG 469.A NE ASP 467.A OD2.A no hydrogen 3.297 N/A ARG 469.A NH1 ASP 293.A O no hydrogen 2.960 N/A ARG 469.A NH2 ASP 467.A OD1.B no hydrogen 3.387 N/A ARG 469.A NH2 ASP 467.A OD2.B no hydrogen 3.205 N/A ALA 470.A N ASP 414.A OD1 no hydrogen 3.080 N/A ILE 471.A N ASP 463.A O no hydrogen 2.989 N/A ALA 472.A N ALA 413.A O no hydrogen 3.178 N/A LEU 473.A N.A LEU 461.A O no hydrogen 2.926 N/A LEU 473.A N.B LEU 461.A O no hydrogen 2.887 N/A CYS 474.A SG MET 504.A O no hydrogen 3.487 N/A GLY 476.A N ALA 459.A O no hydrogen 3.031 N/A VAL 478.A N PHE 457.A O no hydrogen 2.891 N/A ARG 479.A N GLY 152.A O no hydrogen 3.086 N/A ARG 479.A NE ASP 456.A OD1 no hydrogen 2.933 N/A ARG 479.A NH1 ASP 530.A OD1 no hydrogen 2.923 N/A ARG 479.A NH2 ASP 456.A OD2 no hydrogen 2.949 N/A ARG 479.A NH2 ASP 530.A O no hydrogen 3.040 N/A ARG 479.A NH2 ASP 530.A OD1 no hydrogen 3.143 N/A MET 480.A N THR 455.A O no hydrogen 2.956 N/A ARG 481.A N ASP 454.A OD1 no hydrogen 2.992 N/A ARG 481.A NE ASP 454.A OD2 no hydrogen 2.921 N/A ARG 481.A NH1 GLY 537.A O no hydrogen 3.103 N/A ARG 481.A NH2 ASP 454.A OD2 no hydrogen 2.955 N/A ARG 481.A NH2 GLY 537.A O no hydrogen 3.041 N/A TYR 482.A N ARG 479.A O no hydrogen 2.896 N/A TYR 482.A OH ASP 227.A OD1 no hydrogen 2.739 N/A ARG 483.A N MET 480.A O no hydrogen 3.114 N/A ARG 483.A NH1 MET 480.A O no hydrogen 2.953 N/A ARG 483.A NH1 THR 490.A O no hydrogen 2.996 N/A ARG 483.A NH2 THR 490.A OG1 no hydrogen 3.188 N/A VAL 487.A N THR 485.A OG1 no hydrogen 2.976 N/A ASN 488.A N THR 485.A OG1 no hydrogen 3.393 N/A THR 490.A N ARG 481.A O no hydrogen 3.192 N/A ILE 492.A N VAL 453.A O no hydrogen 3.113 N/A GLU 493.A N.A TYR 498.A OH no hydrogen 2.971 N/A GLU 493.A N.B TYR 498.A OH no hydrogen 2.971 N/A GLY 495.A N SER 450.A O no hydrogen 2.931 N/A GLU 496.A N.A GLU 493.A O.A no hydrogen 3.350 N/A GLU 496.A N.A GLU 493.A O.B no hydrogen 3.412 N/A GLU 496.A N.B GLU 493.A O.A no hydrogen 3.362 N/A GLU 496.A N.B GLU 493.A O.B no hydrogen 3.424 N/A TYR 498.A N VAL 448.A O no hydrogen 2.932 N/A VAL 500.A N LEU 446.A O no hydrogen 2.914 N/A ILE 502.A N ALA 444.A O no hydrogen 2.973 N/A MET 504.A N VAL 442.A O no hydrogen 2.968 N/A LEU 505.A N ASP 503.A OD1 no hydrogen 3.011 N/A THR 507.A N GLY 440.A O no hydrogen 3.207 N/A SER 508.A OG THR 439.A OG1 no hydrogen 2.870 N/A ASN 509.A N VAL 438.A O no hydrogen 2.940 N/A ASN 509.A ND2 ASP 463.A OD2 no hydrogen 3.164 N/A VAL 510.A N MET 337.A O no hydrogen 2.895 N/A PHE 511.A N VAL 436.A O no hydrogen 2.920 N/A GLY 514.A N LEU 432.A O no hydrogen 2.907 N/A HIS 515.A N LEU 512.A O no hydrogen 3.074 N/A HIS 515.A ND1 ASP 463.A OD1 no hydrogen 2.712 N/A ARG 516.A N VAL 464.A O.A no hydrogen 3.173 N/A ARG 516.A N VAL 464.A O.B no hydrogen 3.159 N/A ARG 516.A NH1 THR 429.A O no hydrogen 3.002 N/A ILE 517.A N THR 429.A OG1 no hydrogen 3.144 N/A MET 518.A N VAL 462.A O no hydrogen 3.056 N/A VAL 519.A N.A TYR 427.A O no hydrogen 2.918 N/A VAL 519.A N.B TYR 427.A O no hydrogen 2.931 N/A GLN 520.A N LYS 460.A O.A no hydrogen 2.995 N/A GLN 520.A N LYS 460.A O.B no hydrogen 2.978 N/A VAL 521.A N LEU 425.A O no hydrogen 2.907 N/A SER 522.A N THR 458.A O no hydrogen 3.254 N/A SER 522.A OG ASP 423.A O no hydrogen 2.696 N/A SER 523.A OG TYR 388.A OH no hydrogen 2.807 N/A SER 523.A OG ASP 456.A O no hydrogen 2.798 N/A PHE 526.A N VAL 396.A O no hydrogen 3.044 N/A LYS 528.A N SER 398.A OG no hydrogen 3.039 N/A LYS 528.A NZ THR 402.A O no hydrogen 3.026 N/A LYS 528.A NZ THR 402.A OG1 no hydrogen 3.287 N/A TYR 529.A N ASN 525.A O no hydrogen 2.975 N/A ASP 530.A N LEU 155.A O no hydrogen 2.980 N/A ARG 531.A NH1 PRO 392.A O no hydrogen 3.032 N/A ASN 532.A ND2 ASP 454.A OD2 no hydrogen 3.136 N/A ASN 532.A ND2 ASP 456.A OD1 no hydrogen 2.943 N/A SER 533.A OG THR 535.A OG1 no hydrogen 3.081 N/A SER 533.A OG GLU 542.A OE2 no hydrogen 2.792 N/A ASN 534.A N ASN 532.A OD1 no hydrogen 2.947 N/A ASN 534.A ND2 CYS 548.A O no hydrogen 2.947 N/A THR 535.A OG1 SER 533.A OG no hydrogen 3.081 N/A THR 535.A OG1 GLU 542.A OE1 no hydrogen 2.679 N/A THR 535.A OG1 GLU 542.A OE2 no hydrogen 3.432 N/A GLY 537.A N THR 535.A OG1 no hydrogen 3.054 N/A ARG 541.A N VAL 538.A O no hydrogen 3.006 N/A ARG 541.A NH2 ASP 224.A OD1 no hydrogen 3.087 N/A GLU 542.A N ILE 539.A O no hydrogen 3.316 N/A GLN 543.A N GLU 546.A OE2.A no hydrogen 2.770 N/A GLN 543.A N GLU 546.A OE2.B no hydrogen 3.107 N/A LEU 544.A N THR 203.A OG1 no hydrogen 3.194 N/A GLU 546.A N.A GLN 543.A O no hydrogen 2.822 N/A GLU 546.A N.B GLN 543.A O no hydrogen 3.346 N/A MET 547.A N LEU 544.A O no hydrogen 3.171 N/A CYS 548.A N SER 533.A O no hydrogen 3.060 N/A ALA 550.A N TYR 390.A O no hydrogen 2.990 N/A VAL 551.A N SER 451.A OG no hydrogen 3.004 N/A ASN 552.A N TYR 388.A O no hydrogen 2.959 N/A ASN 552.A ND2 THR 455.A OG1 no hydrogen 3.254 N/A ASN 552.A ND2 SER 523.A OG no hydrogen 3.029 N/A ARG 553.A N.A SER 449.A O no hydrogen 2.963 N/A ARG 553.A N.B SER 449.A O no hydrogen 2.969 N/A ARG 553.A NE.A THR 387.A OG1 no hydrogen 2.922 N/A ARG 553.A NH2.A THR 387.A OG1 no hydrogen 3.424 N/A ILE 554.A N ASP 386.A O no hydrogen 2.950 N/A HIS 555.A N PHE 447.A O no hydrogen 2.932 N/A HIS 555.A NE2 SER 449.A OG no hydrogen 2.943 N/A ARG 556.A N SER 384.A O.A no hydrogen 3.062 N/A ARG 556.A N SER 384.A O.B no hydrogen 3.028 N/A ARG 556.A NE ASP 386.A OD2 no hydrogen 2.839 N/A ARG 556.A NH1 GLY 362.A O no hydrogen 2.930 N/A ARG 556.A NH2 GLY 364.A O no hydrogen 3.072 N/A ARG 556.A NH2 ASP 386.A OD1 no hydrogen 3.076 N/A ARG 556.A NH2 ASP 386.A OD2 no hydrogen 3.481 N/A GLY 557.A N HIS 560.A O no hydrogen 3.179 N/A GLU 559.A N GLU 383.A OE2 no hydrogen 2.626 N/A HIS 560.A ND1 GLU 383.A OE1 no hydrogen 3.366 N/A SER 562.A N HIS 560.A O no hydrogen 2.887 N/A SER 562.A OG HIS 555.A O no hydrogen 2.750 N/A HIS 563.A N ARG 445.A O.A no hydrogen 2.939 N/A HIS 563.A N ARG 445.A O.B no hydrogen 2.990 N/A HIS 563.A ND1 PRO 561.A O no hydrogen 2.909 N/A ILE 564.A N.A PHE 358.A O no hydrogen 3.037 N/A ILE 564.A N.B PHE 358.A O no hydrogen 3.025 N/A VAL 565.A N SER 443.A O no hydrogen 2.848 N/A LEU 566.A N THR 356.A O no hydrogen 3.003 N/A ILE 568.A N ALA 354.A O no hydrogen 3.004 N/A ILE 569.A N GLU 437.A O no hydrogen 3.058 N/A ARG 571.A NE ASP 352.A OD2.B no hydrogen 3.374 N/A ARG 571.A NH1 GLU 345.A OE2 no hydrogen 3.122 N/A ARG 571.A NH2 GLU 345.A OE1 no hydrogen 2.918 N/A ARG 571.A NH2 GLU 345.A OE2 no hydrogen 3.454 N/A ARG 571.A NH2 ASP 352.A OD1.B no hydrogen 3.472 N/A