Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8s9v_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 SER 672.A OG no hydrogen 3.030 N/A PHE 3.A N PHE 673.A O no hydrogen 3.027 N/A HIS 4.A N SER 633.A O no hydrogen 2.856 N/A HIS 4.A NE2 ASP 630.A OD1 no hydrogen 2.691 N/A ASN 5.A ND2 TYR 7.A O no hydrogen 2.917 N/A ASN 8.A N VAL 455.A O no hydrogen 2.958 N/A ASN 8.A ND2 PRO 665.A O no hydrogen 3.008 N/A VAL 10.A N ARG 453.A O no hydrogen 2.795 N/A ARG 15.A N THR 352.A OG1 no hydrogen 3.087 N/A ARG 15.A NE THR 352.A O no hydrogen 3.366 N/A ARG 15.A NH1 ASP 24.A OD1 no hydrogen 2.073 N/A ILE 18.A N ARG 15.A O no hydrogen 3.132 N/A THR 19.A N GLU 606.A OE1 no hydrogen 3.100 N/A THR 19.A OG1 GLU 606.A OE1 no hydrogen 2.993 N/A THR 19.A OG1 GLU 606.A OE2 no hydrogen 3.418 N/A GLY 23.A N GLY 20.A O no hydrogen 3.112 N/A CYS 25.A N LEU 362.A O no hydrogen 3.313 N/A CYS 25.A SG ALA 26.A O no hydrogen 3.542 N/A GLY 29.A N TYR 380.A OH no hydrogen 3.171 N/A HIS 30.A NE2 LYS 381.A O no hydrogen 2.646 N/A HIS 34.A N ASN 522.A OD1 no hydrogen 3.224 N/A LYS 37.A N HIS 34.A O no hydrogen 3.268 N/A LYS 37.A NZ HIS 34.A ND1 no hydrogen 3.224 N/A LYS 37.A NZ ASP 36.A OD2 no hydrogen 3.326 N/A TYR 38.A N LEU 523.A O no hydrogen 3.075 N/A SER 39.A N ARG 568.A O no hydrogen 2.997 N/A GLY 40.A N VAL 520.A O no hydrogen 2.933 N/A ARG 41.A N ASP 566.A O no hydrogen 3.330 N/A ARG 41.A NE ASP 519.A OD1 no hydrogen 3.004 N/A ARG 41.A NH2 GLU 517.A OE1 no hydrogen 3.238 N/A ILE 42.A N ILE 518.A O no hydrogen 2.659 N/A ALA 43.A N THR 565.A OG1 no hydrogen 3.236 N/A VAL 44.A N PHE 516.A O no hydrogen 2.910 N/A LYS 45.A N ASP 559.A O no hydrogen 2.930 N/A LYS 45.A NZ ASP 561.A OD1 no hydrogen 2.835 N/A LYS 45.A NZ ASP 561.A OD2 no hydrogen 2.408 N/A LEU 46.A N PHE 514.A O no hydrogen 2.740 N/A THR 47.A N ARG 557.A O no hydrogen 3.012 N/A THR 47.A OG1 THR 512.A O no hydrogen 3.212 N/A THR 48.A N THR 512.A O no hydrogen 3.032 N/A THR 48.A OG1 LYS 509.A O no hydrogen 2.929 N/A THR 48.A OG1 THR 512.A O no hydrogen 3.339 N/A THR 48.A OG1 THR 512.A OG1 no hydrogen 3.197 N/A VAL 49.A N SER 555.A O no hydrogen 2.926 N/A THR 50.A OG1 GLY 552.A O no hydrogen 2.967 N/A LEU 52.A N VAL 508.A O no hydrogen 3.199 N/A ASP 56.A N PRO 70.A O no hydrogen 2.961 N/A SER 58.A N ASP 56.A OD1 no hydrogen 3.017 N/A SER 58.A OG ASP 56.A OD1 no hydrogen 2.469 N/A SER 58.A OG ASP 56.A OD2 no hydrogen 3.143 N/A LYS 59.A N ASP 56.A O no hydrogen 3.141 N/A GLU 61.A N THR 68.A O no hydrogen 2.931 N/A ASN 63.A N HIS 66.A O no hydrogen 2.940 N/A ASN 64.A ND2 ASN 64.A O no hydrogen 2.245 N/A ASN 64.A ND2 ARG 497.A O no hydrogen 3.521 N/A ASN 65.A ND2 ASP 499.A OD2 no hydrogen 3.221 N/A HIS 66.A N ASN 63.A O no hydrogen 2.664 N/A HIS 66.A ND1 ASP 498.A O no hydrogen 2.896 N/A LYS 67.A NZ GLU 60.A OE2 no hydrogen 2.446 N/A THR 68.A N GLU 61.A O no hydrogen 2.787 N/A TYR 69.A N SER 503.A O no hydrogen 2.729 N/A TYR 69.A OH GLU 60.A OE1 no hydrogen 3.263 N/A ARG 72.A N ILE 54.A O no hydrogen 2.818 N/A GLY 74.A N LYS 78.A O no hydrogen 2.863 N/A GLY 77.A N GLY 74.A O no hydrogen 2.880 N/A LYS 78.A NZ ASP 76.A OD2 no hydrogen 3.298 N/A TYR 80.A N ARG 72.A O no hydrogen 2.964 N/A SER 85.A N PRO 82.A O no hydrogen 3.209 N/A ILE 86.A N PRO 82.A O no hydrogen 3.419 N/A LYS 87.A N PRO 83.A O no hydrogen 2.750 N/A GLY 88.A N THR 84.A O no hydrogen 3.000 N/A MET 89.A N SER 85.A O no hydrogen 3.195 N/A LEU 90.A N ILE 86.A O no hydrogen 2.935 N/A ARG 91.A N LYS 87.A O no hydrogen 2.668 N/A ARG 91.A NE GLU 95.A OE2 no hydrogen 3.324 N/A ARG 91.A NH1 GLY 370.A O no hydrogen 3.296 N/A ARG 91.A NH2 GLY 370.A O no hydrogen 3.179 N/A SER 92.A N GLY 88.A O no hydrogen 3.183 N/A SER 92.A OG GLY 88.A O no hydrogen 2.917 N/A SER 92.A OG MET 89.A O no hydrogen 3.156 N/A ALA 93.A N MET 89.A O no hydrogen 3.115 N/A TYR 94.A N LEU 90.A O no hydrogen 2.577 N/A TYR 94.A OH GLU 527.A O no hydrogen 2.722 N/A GLU 95.A N ARG 91.A O no hydrogen 2.832 N/A ALA 96.A N SER 92.A O no hydrogen 3.098 N/A VAL 97.A N ALA 93.A O no hydrogen 3.362 N/A THR 98.A N TYR 94.A O no hydrogen 2.937 N/A ASN 99.A N ALA 96.A O no hydrogen 3.055 N/A ASN 99.A ND2 LEU 13.A O no hydrogen 3.100 N/A ASN 99.A ND2 TYR 607.A OH no hydrogen 2.997 N/A SER 100.A N GLU 95.A O no hydrogen 3.094 N/A SER 100.A OG ARG 101.A O no hydrogen 3.029 N/A ARG 101.A N SER 363.A OG no hydrogen 3.150 N/A ARG 101.A NE GLN 361.A O no hydrogen 2.965 N/A ARG 101.A NH1 ASP 24.A OD2 no hydrogen 3.096 N/A ARG 101.A NH2 GLU 351.A O no hydrogen 3.177 N/A ARG 101.A NH2 LYS 354.A O no hydrogen 2.557 N/A LEU 102.A N LEU 353.A O no hydrogen 3.147 N/A ALA 103.A N GLU 95.A OE1 no hydrogen 3.272 N/A ARG 111.A NE GLU 268.A OE2 no hydrogen 2.416 N/A ARG 111.A NH1 GLU 268.A OE1 no hydrogen 3.107 N/A ARG 111.A NH1 GLU 268.A OE2 no hydrogen 2.460 N/A TYR 114.A N GLY 339.A O no hydrogen 2.615 N/A TYR 114.A OH ASP 440.A OD2 no hydrogen 2.842 N/A MET 116.A N THR 337.A O no hydrogen 2.612 N/A MET 120.A N PRO 117.A O no hydrogen 2.903 N/A GLY 121.A N ALA 118.A O no hydrogen 3.181 N/A GLN 123.A NE2 HIS 318.A NE2 no hydrogen 2.628 N/A MET 124.A N GLY 121.A O no hydrogen 3.378 N/A VAL 125.A N ALA 317.A O no hydrogen 2.972 N/A ALA 127.A N CYS 315.A O no hydrogen 2.735 N/A ARG 128.A N VAL 135.A O no hydrogen 2.869 N/A ARG 128.A NE GLU 130.A OE2 no hydrogen 2.611 N/A ARG 128.A NH1 GLU 130.A OE1 no hydrogen 2.995 N/A ARG 128.A NH1 GLU 130.A OE2 no hydrogen 3.361 N/A ILE 129.A N THR 313.A O no hydrogen 3.349 N/A GLU 130.A N ASN 133.A O no hydrogen 2.324 N/A GLY 131.A N ASP 311.A OD1 no hydrogen 2.707 N/A ASN 133.A N GLU 130.A O no hydrogen 2.898 N/A ASN 133.A ND2 ASP 132.A OD1 no hydrogen 2.712 N/A ILE 134.A N ILE 256.A O no hydrogen 3.059 N/A VAL 135.A N ARG 128.A O no hydrogen 2.585 N/A LEU 136.A N ILE 254.A O no hydrogen 2.353 N/A TYR 137.A N PRO 126.A O no hydrogen 3.237 N/A TYR 137.A OH GLU 130.A OE2 no hydrogen 2.933 N/A SER 141.A OG ASP 153.A OD1 no hydrogen 2.558 N/A SER 141.A OG ASP 153.A OD2 no hydrogen 2.703 N/A ARG 142.A N ASP 153.A OD2 no hydrogen 2.643 N/A GLY 144.A N ARG 148.A O no hydrogen 2.640 N/A GLY 147.A N GLY 144.A O no hydrogen 2.774 N/A ALA 150.A N ARG 142.A O no hydrogen 2.822 N/A ASN 152.A ND2 ASN 189.A O no hydrogen 3.372 N/A ASP 153.A N ALA 150.A O no hydrogen 2.800 N/A MET 155.A N CYS 191.A O no hydrogen 2.898 N/A TYR 156.A OH GLY 147.A O no hydrogen 2.747 N/A ALA 158.A N VAL 246.A O no hydrogen 3.028 N/A TRP 159.A N TRP 193.A O no hydrogen 2.948 N/A LEU 160.A N GLU 244.A O no hydrogen 2.570 N/A TYR 162.A N HIS 242.A O no hydrogen 3.115 N/A TYR 162.A OH ALA 172.A O no hydrogen 2.390 N/A TYR 163.A N HIS 242.A O no hydrogen 3.082 N/A TYR 163.A OH THR 234.A O no hydrogen 3.080 N/A TYR 163.A OH GLU 244.A OE2 no hydrogen 2.346 N/A ARG 166.A NE TYR 162.A O no hydrogen 2.712 N/A ILE 167.A N PRO 161.A O no hydrogen 3.164 N/A TYR 169.A N GLN 170.A O no hydrogen 3.047 N/A GLU 173.A N ASP 176.A OD2 no hydrogen 2.121 N/A HIS 174.A N GLU 173.A OE1 no hydrogen 2.599 N/A ASP 176.A N GLU 173.A O no hydrogen 2.602 N/A HIS 177.A ND1 GLY 229.A O no hydrogen 2.906 N/A VAL 178.A N GLY 229.A O no hydrogen 2.877 N/A ARG 179.A N ALA 199.A O no hydrogen 2.955 N/A ARG 179.A NE HIS 201.A NE2 no hydrogen 3.086 N/A ARG 179.A NE GLU 228.A OE1 no hydrogen 3.232 N/A ARG 179.A NH1 GLU 228.A OE1 no hydrogen 3.515 N/A PHE 180.A N PHE 227.A O no hydrogen 2.971 N/A TRP 181.A N GLN 197.A O no hydrogen 2.860 N/A TRP 181.A NE1 GLY 206.A O no hydrogen 2.849 N/A ALA 182.A N GLU 225.A O no hydrogen 3.101 N/A GLU 183.A N ARG 194.A O no hydrogen 2.788 N/A ARG 184.A N VAL 223.A O no hydrogen 2.783 N/A TYR 185.A N GLU 183.A O no hydrogen 2.732 N/A TYR 185.A OH ARG 213.A O no hydrogen 2.240 N/A THR 186.A N HIS 219.A O no hydrogen 2.824 N/A ARG 187.A N PHE 190.A O no hydrogen 2.827 N/A ARG 187.A NH2 HIS 218.A NE2 no hydrogen 3.020 N/A PHE 190.A N ARG 187.A O no hydrogen 2.800 N/A TYR 192.A N TYR 185.A O no hydrogen 3.066 N/A TYR 192.A OH HIS 218.A ND1 no hydrogen 2.555 N/A ARG 194.A N GLU 183.A O no hydrogen 2.872 N/A ARG 194.A NH1 ASN 165.A OD1 no hydrogen 3.555 N/A ARG 194.A NH2 TYR 192.A OH no hydrogen 3.180 N/A VAL 195.A N TRP 159.A O no hydrogen 2.981 N/A ARG 196.A N TRP 181.A O no hydrogen 2.754 N/A ARG 196.A NH1 GLU 210.A O no hydrogen 3.367 N/A ARG 196.A NH2 GLU 210.A O no hydrogen 3.075 N/A GLN 197.A N TRP 181.A O no hydrogen 3.462 N/A GLN 197.A NE2 LEU 205.A O no hydrogen 2.432 N/A ALA 199.A N ARG 179.A O no hydrogen 2.881 N/A HIS 201.A N HIS 177.A O no hydrogen 3.263 N/A HIS 201.A NE2 GLU 228.A OE1 no hydrogen 2.741 N/A GLN 203.A N ARG 200.A O no hydrogen 2.865 N/A GLY 206.A N ASN 204.A OD1 no hydrogen 2.993 N/A ARG 208.A NE GLU 210.A OE2 no hydrogen 3.297 N/A ARG 208.A NH1 GLU 210.A OE1 no hydrogen 3.541 N/A ARG 211.A NH2 SER 220.A OG no hydrogen 2.367 N/A GLY 212.A N GLU 183.A OE1 no hydrogen 2.950 N/A GLY 216.A N ASN 214.A O no hydrogen 2.873 N/A HIS 218.A N TYR 215.A O no hydrogen 3.337 N/A HIS 219.A N THR 186.A O no hydrogen 2.870 N/A SER 220.A N ASN 214.A OD1 no hydrogen 2.846 N/A SER 220.A OG GLU 183.A OE2 no hydrogen 2.351 N/A SER 220.A OG GLY 212.A O no hydrogen 3.445 N/A THR 221.A N GLU 183.A OE2 no hydrogen 2.983 N/A THR 221.A OG1 ARG 184.A O no hydrogen 2.133 N/A GLY 222.A N GLU 183.A OE2 no hydrogen 2.841 N/A GLU 225.A N ALA 182.A O no hydrogen 3.066 N/A GLN 226.A N GLU 225.A OE1 no hydrogen 3.095 N/A PHE 227.A N PHE 180.A O no hydrogen 2.926 N/A GLY 229.A N VAL 178.A O no hydrogen 2.860 N/A PHE 230.A N PHE 247.A O no hydrogen 3.001 N/A VAL 231.A N ASP 176.A O no hydrogen 3.335 N/A TYR 232.A OH PRO 333.A O no hydrogen 2.709 N/A LYS 233.A NZ GLU 173.A OE2 no hydrogen 2.255 N/A LYS 233.A NZ ASN 235.A OD1 no hydrogen 3.380 N/A THR 234.A N GLU 244.A OE1 no hydrogen 2.698 N/A ASN 235.A ND2 TRP 296.A O no hydrogen 2.506 N/A ASN 237.A N ASN 235.A O no hydrogen 2.720 N/A ASN 237.A ND2 SER 297.A OG no hydrogen 2.779 N/A LYS 241.A N ILE 238.A O no hydrogen 3.257 N/A LYS 241.A NZ ASP 243.A O no hydrogen 2.861 N/A LYS 241.A NZ GLU 244.A OE1 no hydrogen 3.439 N/A GLU 244.A N LEU 160.A O no hydrogen 2.868 N/A VAL 246.A N ALA 158.A O no hydrogen 2.861 N/A PHE 247.A N PHE 230.A O no hydrogen 2.476 N/A ILE 249.A N GLU 228.A O no hydrogen 2.775 N/A ASP 250.A N GLU 228.A O no hydrogen 3.208 N/A ARG 251.A NE ASP 250.A OD2 no hydrogen 2.761 N/A ARG 251.A NH1 GLU 225.A OE1 no hydrogen 2.821 N/A ARG 251.A NH1 ASP 250.A OD2 no hydrogen 3.246 N/A ARG 251.A NH2 GLU 225.A OE1 no hydrogen 3.446 N/A ARG 251.A NH2 GLU 225.A OE2 no hydrogen 2.992 N/A SER 253.A N GLU 252.A OE1 no hydrogen 2.816 N/A SER 253.A OG LEU 136.A O no hydrogen 2.942 N/A ILE 254.A N LEU 136.A O no hydrogen 2.997 N/A ILE 256.A N ILE 134.A O no hydrogen 2.787 N/A LEU 258.A N ASP 132.A O no hydrogen 3.245 N/A LEU 262.A N SER 259.A OG no hydrogen 3.076 N/A ARG 263.A N SER 259.A O no hydrogen 3.182 N/A ARG 263.A NH1 LEU 309.A O no hydrogen 3.540 N/A ARG 263.A NH2 LEU 309.A O no hydrogen 2.957 N/A ARG 264.A N ARG 260.A O no hydrogen 3.073 N/A ARG 264.A NE ASP 261.A OD1 no hydrogen 3.034 N/A ARG 264.A NH1 ASP 261.A OD1 no hydrogen 3.522 N/A LYS 265.A N ASP 261.A O no hydrogen 3.121 N/A LYS 265.A NZ ASP 261.A OD2 no hydrogen 3.235 N/A TRP 266.A N LEU 262.A O no hydrogen 2.945 N/A TRP 266.A NE1 GLU 306.A O no hydrogen 3.151 N/A ARG 267.A N ARG 263.A O no hydrogen 3.197 N/A ARG 267.A NH1 ASN 308.A OD1 no hydrogen 3.112 N/A GLU 268.A N ARG 264.A O no hydrogen 2.809 N/A LEU 269.A N LYS 265.A O no hydrogen 2.861 N/A ILE 270.A N TRP 266.A O no hydrogen 2.950 N/A THR 271.A N ARG 267.A O no hydrogen 2.886 N/A THR 271.A OG1 ARG 267.A O no hydrogen 2.562 N/A SER 272.A N GLU 268.A O no hydrogen 3.227 N/A TYR 273.A N LEU 269.A O no hydrogen 3.188 N/A GLN 274.A N ILE 270.A O no hydrogen 2.952 N/A GLN 274.A NE2 GLN 299.A O no hydrogen 3.159 N/A GLN 274.A NE2 ASP 303.A O no hydrogen 3.500 N/A GLU 275.A N THR 271.A O no hydrogen 2.757 N/A ILE 276.A N SER 272.A O no hydrogen 2.867 N/A LYS 278.A N GLU 275.A O no hydrogen 3.223 N/A VAL 281.A N HIS 277.A O no hydrogen 2.964 N/A ASP 282.A N LYS 278.A O no hydrogen 2.953 N/A ARG 283.A N LYS 279.A O no hydrogen 3.085 N/A ARG 283.A NE ASP 285.A OD2 no hydrogen 3.025 N/A ARG 283.A NH1 ASP 285.A OD2 no hydrogen 3.261 N/A GLY 284.A N VAL 281.A O no hydrogen 2.886 N/A ASP 285.A N GLU 280.A O no hydrogen 3.078 N/A SER 289.A OG GLU 280.A OE1 no hydrogen 3.509 N/A VAL 291.A N PRO 288.A O no hydrogen 3.446 N/A VAL 295.A N LYS 236.A O no hydrogen 3.109 N/A TRP 296.A N THR 286.A O no hydrogen 3.049 N/A TRP 296.A NE1 ASP 285.A O no hydrogen 2.742 N/A SER 297.A OG GLN 299.A OE1 no hydrogen 3.006 N/A ARG 298.A N THR 234.A OG1 no hydrogen 3.269 N/A ARG 298.A NH1 TYR 232.A OH no hydrogen 3.187 N/A ARG 298.A NH1 GLU 306.A OE2 no hydrogen 3.388 N/A ARG 298.A NH2 GLU 306.A OE1 no hydrogen 3.220 N/A ARG 298.A NH2 GLU 306.A OE2 no hydrogen 3.457 N/A GLN 299.A N GLN 299.A OE1 no hydrogen 2.655 N/A ILE 300.A N SER 297.A O no hydrogen 3.040 N/A ALA 302.A N ARG 298.A O no hydrogen 3.062 N/A GLU 306.A N ASP 303.A O no hydrogen 2.883 N/A ARG 307.A N GLU 304.A O no hydrogen 2.887 N/A ARG 307.A NE GLN 274.A OE1 no hydrogen 2.935 N/A ARG 307.A NH1 GLN 274.A OE1 no hydrogen 2.304 N/A ASN 308.A N SER 305.A O no hydrogen 3.309 N/A SER 310.A N ASN 308.A O no hydrogen 2.735 N/A GLY 312.A N ILE 129.A O no hydrogen 2.903 N/A THR 313.A N SER 310.A O no hydrogen 3.162 N/A THR 313.A OG1 SER 310.A O no hydrogen 2.839 N/A CYS 315.A N ALA 127.A O no hydrogen 3.044 N/A TYR 316.A N TYR 332.A O no hydrogen 2.905 N/A ALA 317.A N VAL 125.A O no hydrogen 2.673 N/A HIS 318.A N ASN 330.A O no hydrogen 3.006 N/A VAL 319.A N GLN 123.A O no hydrogen 3.492 N/A LYS 320.A N LYS 327.A O no hydrogen 3.049 N/A LYS 320.A NZ GLU 322.A OE1 no hydrogen 2.504 N/A LYS 321.A N ASN 145.A O no hydrogen 3.148 N/A GLU 322.A N GLN 325.A O no hydrogen 2.789 N/A GLN 325.A N GLU 322.A O no hydrogen 2.585 N/A GLN 325.A NE2 ASP 323.A O no hydrogen 2.632 N/A LEU 329.A N HIS 318.A O no hydrogen 2.878 N/A TYR 332.A N TYR 316.A O no hydrogen 2.795 N/A THR 337.A OG1 VAL 334.A O no hydrogen 2.979 N/A ARG 338.A N TYR 273.A OH no hydrogen 3.024 N/A ARG 338.A NE SER 272.A OG no hydrogen 2.945 N/A GLY 339.A N TYR 114.A O no hydrogen 2.709 N/A TYR 341.A N LEU 112.A O no hydrogen 2.788 N/A TYR 341.A OH GLU 418.A O no hydrogen 2.664 N/A GLU 342.A N GLU 342.A OE1 no hydrogen 2.570 N/A VAL 346.A N HIS 108.A O no hydrogen 2.990 N/A ASP 347.A N ALA 344.A O no hydrogen 2.924 N/A LEU 348.A N PRO 345.A O no hydrogen 3.013 N/A THR 352.A N ASP 350.A OD1 no hydrogen 2.783 N/A THR 352.A OG1 ASP 350.A OD1 no hydrogen 2.690 N/A LEU 353.A N ASP 350.A O no hydrogen 2.843 N/A LYS 354.A N ASP 350.A O no hydrogen 3.077 N/A THR 357.A N GLN 361.A OE1 no hydrogen 3.161 N/A THR 357.A OG1 GLN 361.A OE1 no hydrogen 3.148 N/A LYS 360.A N ASP 358.A OD1 no hydrogen 3.088 N/A GLN 361.A N ASP 358.A O no hydrogen 3.278 N/A GLN 361.A N ASP 358.A OD1 no hydrogen 3.049 N/A SER 363.A N ASP 366.A OD2 no hydrogen 3.146 N/A SER 363.A OG ASP 366.A OD2 no hydrogen 2.982 N/A ARG 367.A N SER 363.A O no hydrogen 2.948 N/A ARG 367.A NE GLU 527.A OE2 no hydrogen 2.814 N/A ARG 367.A NH1 ASP 21.A O no hydrogen 2.533 N/A ARG 367.A NH1 GLU 527.A OE2 no hydrogen 3.060 N/A ARG 367.A NH2 GLY 23.A O no hydrogen 2.928 N/A ARG 367.A NH2 LEU 362.A O no hydrogen 2.963 N/A VAL 368.A N PRO 364.A O no hydrogen 2.864 N/A PHE 369.A N ALA 365.A O no hydrogen 2.800 N/A TRP 371.A N TYR 380.A O no hydrogen 2.887 N/A TRP 371.A NE1 ALA 356.A O no hydrogen 3.218 N/A ASN 373.A N GLY 378.A O no hydrogen 2.704 N/A ASN 373.A ND2 ASN 377.A O no hydrogen 2.794 N/A ARG 375.A N ASN 373.A OD1 no hydrogen 3.163 N/A ARG 375.A NH1 ALA 356.A O no hydrogen 2.885 N/A GLY 378.A N ASN 377.A OD1 no hydrogen 2.658 N/A TYR 380.A N TRP 371.A O no hydrogen 2.822 N/A TYR 380.A OH GLN 383.A OE1 no hydrogen 2.257 N/A GLN 383.A NE2 THR 521.A O no hydrogen 2.766 N/A ARG 385.A N ASP 519.A O no hydrogen 2.913 N/A HIS 387.A N GLU 517.A O no hydrogen 2.887 N/A HIS 387.A ND1 SER 388.A OG no hydrogen 2.787 N/A SER 388.A OG HIS 387.A ND1 no hydrogen 2.787 N/A THR 390.A N THR 515.A O no hydrogen 2.817 N/A THR 390.A OG1 GLN 392.A OE1 no hydrogen 2.769 N/A CYS 391.A SG HIS 393.A O no hydrogen 3.199 N/A CYS 391.A SG GLU 513.A O no hydrogen 3.901 N/A GLN 392.A N GLU 513.A O no hydrogen 3.028 N/A ASP 395.A N ASP 394.A OD1 no hydrogen 2.531 N/A ASP 398.A N TRP 507.A O no hydrogen 2.636 N/A ASP 399.A N ILE 397.A O no hydrogen 3.194 N/A GLY 401.A N ASP 399.A OD1 no hydrogen 2.863 N/A PHE 405.A N ASN 402.A O no hydrogen 3.065 N/A VAL 407.A N VAL 504.A O no hydrogen 3.312 N/A LEU 409.A N ARG 502.A O no hydrogen 2.951 N/A LYS 416.A NZ GLN 414.A O no hydrogen 2.644 N/A GLU 418.A N GLU 418.A OE1 no hydrogen 2.622 N/A GLN 419.A N LYS 416.A O no hydrogen 3.141 N/A ALA 420.A N GLU 418.A O no hydrogen 2.851 N/A ARG 421.A N GLN 419.A OE1 no hydrogen 3.154 N/A ARG 421.A NH1 TYR 437.A O no hydrogen 2.939 N/A ARG 421.A NH1 GLU 657.A OE1 no hydrogen 2.977 N/A ARG 421.A NH2 GLU 657.A OE1 no hydrogen 2.577 N/A PHE 422.A N GLN 419.A O no hydrogen 2.844 N/A TYR 423.A N GLN 419.A O no hydrogen 3.197 N/A CYS 424.A N ALA 420.A O no hydrogen 2.825 N/A CYS 424.A SG GLY 442.A O no hydrogen 3.315 N/A CYS 424.A SG GLN 448.A OE1 no hydrogen 3.786 N/A CYS 424.A SG GLY 449.A O no hydrogen 3.380 N/A ALA 425.A N GLY 449.A O no hydrogen 2.736 N/A ASP 426.A N ILE 431.A O no hydrogen 2.563 N/A ARG 428.A NE GLN 448.A O no hydrogen 3.092 N/A ARG 428.A NH1 ASP 347.A O no hydrogen 3.191 N/A ARG 428.A NH1 SER 446.A O no hydrogen 2.577 N/A GLY 430.A N ASP 427.A O no hydrogen 2.678 N/A GLY 436.A N ARG 661.A O no hydrogen 3.364 N/A ARG 439.A NH1 TYR 341.A OH no hydrogen 3.186 N/A ARG 439.A NH1 GLU 418.A O no hydrogen 3.034 N/A ASP 441.A N ASP 438.A O no hydrogen 2.796 N/A GLY 442.A N ARG 439.A O no hydrogen 2.813 N/A TYR 443.A OH PRO 417.A O no hydrogen 2.477 N/A SER 444.A OG GLU 342.A OE2 no hydrogen 2.872 N/A GLU 447.A N GLU 447.A OE1 no hydrogen 2.799 N/A GLN 448.A N ASP 445.A O no hydrogen 2.979 N/A GLN 448.A NE2 ASP 426.A OD1 no hydrogen 3.509 N/A GLN 448.A NE2 ASP 445.A OD2 no hydrogen 2.715 N/A GLY 449.A N ALA 425.A O no hydrogen 2.777 N/A ARG 451.A N TYR 423.A O no hydrogen 3.215 N/A ARG 451.A NH1 PRO 665.A O no hydrogen 3.181 N/A ARG 451.A NH2 LEU 664.A O no hydrogen 3.057 N/A ARG 453.A N VAL 10.A O no hydrogen 2.933 N/A ARG 453.A NH1 ASN 99.A OD1 no hydrogen 3.434 N/A ARG 453.A NH2 ASN 99.A OD1 no hydrogen 3.456 N/A LYS 454.A NZ TYR 423.A OH no hydrogen 2.969 N/A VAL 455.A N ASN 8.A O no hydrogen 2.734 N/A HIS 458.A N SER 624.A O no hydrogen 3.089 N/A LYS 460.A N HIS 458.A O no hydrogen 2.885 N/A TYR 466.A N PRO 463.A O no hydrogen 3.119 N/A TYR 466.A OH TYR 483.A O no hydrogen 2.924 N/A SER 468.A N GLY 465.A O no hydrogen 2.984 N/A SER 468.A OG GLY 465.A O no hydrogen 2.531 N/A ASN 469.A ND2 GLU 472.A OE1 no hydrogen 3.119 N/A GLU 472.A N ASN 469.A O no hydrogen 3.127 N/A ARG 474.A N GLU 472.A O no hydrogen 2.865 N/A ARG 474.A NH1 TYR 466.A O no hydrogen 3.018 N/A ARG 474.A NH1 SER 468.A O no hydrogen 2.918 N/A ARG 474.A NH2 SER 468.A O no hydrogen 3.296 N/A ARG 474.A NH2 ASN 469.A O no hydrogen 2.947 N/A ARG 474.A NH2 GLU 472.A OE1 no hydrogen 3.013 N/A SER 475.A OG GLN 476.A OE1 no hydrogen 2.507 N/A GLN 476.A NE2 GLU 642.A OE1 no hydrogen 3.216 N/A GLN 476.A NE2 PRO 643.A O no hydrogen 3.131 N/A GLN 477.A N ARG 474.A O no hydrogen 2.929 N/A ALA 478.A N GLN 477.A OE1 no hydrogen 2.809 N/A GLY 481.A N ALA 478.A O no hydrogen 3.230 N/A HIS 482.A N ILE 479.A O no hydrogen 2.989 N/A GLN 484.A NE2 PRO 470.A O no hydrogen 3.221 N/A GLN 484.A NE2 GLU 472.A O no hydrogen 3.281 N/A GLN 484.A NE2 TYR 486.A OH no hydrogen 3.024 N/A GLU 485.A N TYR 466.A OH no hydrogen 2.916 N/A TYR 486.A OH TYR 466.A O no hydrogen 2.716 N/A ARG 487.A N GLN 484.A O no hydrogen 3.355 N/A ARG 487.A NH1 ARG 488.A O no hydrogen 3.306 N/A ARG 487.A NH1 GLU 495.A OE1 no hydrogen 2.517 N/A ARG 487.A NH1 GLU 495.A OE2 no hydrogen 2.897 N/A ARG 487.A NH2 GLU 495.A OE2 no hydrogen 3.225 N/A ARG 488.A N PRO 408.A O no hydrogen 2.965 N/A ARG 488.A NE ASP 498.A OD2 no hydrogen 2.876 N/A ARG 488.A NH1 ASP 498.A OD2 no hydrogen 2.163 N/A ARG 488.A NH2 PRO 645.A O no hydrogen 3.459 N/A LYS 490.A NZ ASP 473.A OD1 no hydrogen 2.992 N/A LYS 491.A N LEU 494.A O no hydrogen 2.999 N/A LYS 491.A NZ ASP 492.A OD1 no hydrogen 2.436 N/A LEU 494.A N LYS 491.A O no hydrogen 2.859 N/A GLN 496.A NE2 PRO 489.A O no hydrogen 2.814 N/A GLN 496.A NE2 PRO 645.A O no hydrogen 2.925 N/A ARG 497.A NH1 SER 406.A O no hydrogen 2.874 N/A ARG 497.A NH2 SER 503.A OG no hydrogen 3.218 N/A GLN 500.A N ASP 498.A OD1 no hydrogen 2.918 N/A GLN 500.A NE2 ASP 499.A OD1 no hydrogen 3.132 N/A ASN 501.A ND2 GLN 496.A O no hydrogen 3.299 N/A ASN 501.A ND2 ASP 498.A OD1 no hydrogen 2.599 N/A SER 503.A N LYS 67.A O no hydrogen 3.082 N/A SER 503.A OG VAL 407.A O no hydrogen 2.629 N/A VAL 504.A N VAL 407.A O no hydrogen 3.319 N/A LYS 505.A N TYR 69.A O no hydrogen 2.752 N/A LYS 505.A NZ GLU 61.A OE1 no hydrogen 2.661 N/A VAL 508.A N LEU 52.A O no hydrogen 3.089 N/A LYS 509.A N ALA 396.A O no hydrogen 2.938 N/A LYS 509.A NZ ASP 395.A O no hydrogen 3.305 N/A LEU 511.A N THR 48.A O no hydrogen 2.993 N/A THR 512.A N LYS 509.A O no hydrogen 3.420 N/A THR 512.A OG1 THR 48.A OG1 no hydrogen 3.197 N/A THR 512.A OG1 LYS 509.A O no hydrogen 2.848 N/A GLU 513.A N HIS 393.A ND1 no hydrogen 3.152 N/A PHE 514.A N LEU 46.A O no hydrogen 2.668 N/A THR 515.A N THR 390.A O no hydrogen 2.930 N/A THR 515.A OG1 GLN 392.A OE1 no hydrogen 3.377 N/A PHE 516.A N VAL 44.A O no hydrogen 3.029 N/A GLU 517.A N HIS 387.A O no hydrogen 2.915 N/A ILE 518.A N ILE 42.A O no hydrogen 2.792 N/A ASP 519.A N ARG 385.A O no hydrogen 2.719 N/A VAL 520.A N GLY 40.A O no hydrogen 2.828 N/A THR 521.A N GLN 383.A O no hydrogen 2.991 N/A ASN 522.A N SER 39.A OG no hydrogen 2.948 N/A ASN 522.A ND2 GLY 29.A O no hydrogen 2.808 N/A ASN 522.A ND2 TYR 32.A O no hydrogen 3.036 N/A LEU 523.A N TYR 38.A O no hydrogen 2.947 N/A SER 524.A N GLU 527.A OE1 no hydrogen 3.279 N/A SER 524.A OG ASP 21.A OD2 no hydrogen 3.343 N/A SER 524.A OG GLU 527.A OE1 no hydrogen 2.933 N/A LEU 528.A N SER 524.A O no hydrogen 2.693 N/A GLY 529.A N GLU 525.A O no hydrogen 2.767 N/A ALA 530.A N VAL 526.A O no hydrogen 3.034 N/A LEU 531.A N GLU 527.A O no hydrogen 3.460 N/A LEU 532.A N LEU 528.A O no hydrogen 3.051 N/A TRP 533.A N GLY 529.A O no hydrogen 3.057 N/A LEU 534.A N ALA 530.A O no hydrogen 3.327 N/A LEU 535.A N LEU 531.A O no hydrogen 3.178 N/A THR 536.A N TRP 533.A O no hydrogen 3.022 N/A THR 536.A OG1 LEU 532.A O no hydrogen 2.709 N/A HIS 541.A N PRO 538.A O no hydrogen 3.333 N/A PHE 542.A N LEU 625.A O no hydrogen 2.957 N/A HIS 543.A N VAL 556.A O no hydrogen 2.828 N/A HIS 543.A NE2 LEU 534.A O no hydrogen 3.117 N/A ARG 544.A NH1 LYS 549.A O no hydrogen 3.026 N/A ARG 544.A NH1 PHE 553.A O no hydrogen 2.903 N/A LEU 545.A N GLY 554.A O no hydrogen 2.584 N/A LYS 549.A NZ GLY 546.A O no hydrogen 2.931 N/A LEU 551.A N GLY 548.A O no hydrogen 2.822 N/A GLY 552.A N LYS 549.A O no hydrogen 3.254 N/A GLY 554.A N PRO 51.A O no hydrogen 2.753 N/A SER 555.A N THR 50.A OG1 no hydrogen 2.948 N/A SER 555.A OG HIS 458.A ND1 no hydrogen 2.753 N/A VAL 556.A N HIS 543.A O no hydrogen 2.733 N/A ARG 557.A N THR 47.A O no hydrogen 2.766 N/A ARG 557.A NH1 PRO 538.A O no hydrogen 2.774 N/A ARG 557.A NH1 HIS 541.A O no hydrogen 2.432 N/A ARG 557.A NH2 LEU 537.A O no hydrogen 3.072 N/A ASP 559.A N LYS 45.A O no hydrogen 3.214 N/A ASP 561.A N ALA 43.A O no hydrogen 2.937 N/A LYS 564.A N ASP 561.A O no hydrogen 3.124 N/A THR 565.A N PRO 562.A O no hydrogen 3.437 N/A THR 565.A OG1 ASP 561.A O no hydrogen 3.047 N/A ASP 566.A N ARG 41.A O no hydrogen 2.835 N/A ARG 568.A N SER 39.A O no hydrogen 2.970 N/A ARG 568.A NE ASP 566.A OD1 no hydrogen 3.017 N/A ARG 568.A NH1 ASP 566.A OD2 no hydrogen 2.980 N/A ASN 569.A ND2 GLY 35.A O no hydrogen 2.821 N/A TRP 573.A N ASN 569.A O no hydrogen 3.095 N/A ARG 574.A N GLY 570.A O no hydrogen 3.017 N/A TYR 576.A N GLY 572.A O no hydrogen 3.169 N/A TYR 577.A N TRP 573.A O no hydrogen 2.844 N/A GLY 578.A N ASP 575.A O no hydrogen 2.904 N/A LEU 581.A N SER 579.A OG no hydrogen 3.295 N/A GLN 585.A NE2 THR 565.A O no hydrogen 3.610 N/A PHE 588.A N PRO 586.A O no hydrogen 2.999 N/A THR 589.A N ASP 587.A OD1 no hydrogen 3.241 N/A THR 589.A OG1 ASP 587.A OD1 no hydrogen 2.685 N/A THR 589.A OG1 ASP 587.A OD2 no hydrogen 3.403 N/A THR 590.A N ASP 587.A O no hydrogen 3.327 N/A THR 590.A OG1 ASP 587.A O no hydrogen 3.014 N/A LEU 591.A N PHE 588.A O no hydrogen 2.736 N/A ILE 592.A N PHE 588.A O no hydrogen 3.159 N/A TRP 595.A N LEU 591.A O no hydrogen 3.049 N/A ILE 596.A N ILE 592.A O no hydrogen 3.263 N/A ASN 597.A N SER 593.A O no hydrogen 3.309 N/A ASN 597.A ND2 SER 593.A O no hydrogen 2.899 N/A ALA 598.A N GLN 594.A O no hydrogen 3.057 N/A PHE 599.A N TRP 595.A O no hydrogen 3.176 N/A GLN 600.A N ILE 596.A O no hydrogen 2.830 N/A THR 601.A N ASN 597.A O no hydrogen 2.870 N/A THR 601.A OG1 ASN 597.A O no hydrogen 2.790 N/A THR 601.A OG1 ALA 598.A O no hydrogen 3.129 N/A ALA 602.A N ALA 598.A O no hydrogen 3.128 N/A VAL 603.A N PHE 599.A O no hydrogen 2.960 N/A LYS 604.A N GLN 600.A O no hydrogen 3.009 N/A GLU 605.A N THR 601.A O no hydrogen 2.869 N/A GLU 606.A N ALA 602.A O no hydrogen 2.928 N/A TYR 607.A N VAL 603.A O no hydrogen 3.096 N/A SER 609.A N LYS 604.A O no hydrogen 3.033 N/A SER 609.A OG TYR 607.A O no hydrogen 2.631 N/A VAL 615.A N PHE 612.A O no hydrogen 2.992 N/A LYS 619.A N VAL 615.A O no hydrogen 2.689 N/A ALA 620.A N THR 616.A O no hydrogen 2.886 N/A SER 621.A N PHE 617.A O no hydrogen 3.000 N/A GLY 622.A N ILE 618.A O no hydrogen 2.950 N/A GLN 623.A N LYS 619.A O no hydrogen 3.289 N/A GLN 623.A NE2 GLY 627.A O no hydrogen 2.837 N/A SER 624.A N ALA 620.A O no hydrogen 3.088 N/A LEU 625.A N SER 621.A O no hydrogen 3.043 N/A GLN 626.A N GLY 622.A O no hydrogen 2.837 N/A GLY 627.A N GLN 623.A O no hydrogen 2.875 N/A ALA 632.A N ASP 630.A OD1 no hydrogen 2.944 N/A HIS 635.A N HIS 4.A O no hydrogen 3.214 N/A HIS 635.A ND1 TYR 636.A O no hydrogen 2.721 N/A ARG 638.A NE THR 640.A O no hydrogen 2.771 N/A ARG 638.A NE PRO 641.A O no hydrogen 2.898 N/A ARG 638.A NH1 GLU 485.A OE1 no hydrogen 3.054 N/A ARG 638.A NH1 PRO 641.A O no hydrogen 2.681 N/A ARG 638.A NH2 GLU 485.A OE1 no hydrogen 3.478 N/A ARG 638.A NH2 GLU 485.A OE2 no hydrogen 2.620 N/A THR 640.A OG1 SER 639.A O no hydrogen 2.781 N/A GLY 647.A N LYS 644.A O no hydrogen 3.006 N/A ALA 649.A N GLY 647.A O no hydrogen 2.740 N/A LYS 651.A N GLU 648.A O no hydrogen 3.450 N/A LYS 651.A NZ GLU 648.A OE1 no hydrogen 2.566 N/A TRP 652.A N ALA 649.A O no hydrogen 3.086 N/A TRP 652.A NE1 PRO 674.A O no hydrogen 2.933 N/A VAL 654.A N PHE 650.A O no hydrogen 3.143 N/A ALA 655.A N LYS 651.A O no hydrogen 3.102 N/A ASN 656.A N TRP 652.A O no hydrogen 2.787 N/A ASN 656.A ND2 LEU 662.A O no hydrogen 3.374 N/A GLU 657.A N PHE 653.A O no hydrogen 2.666 N/A LYS 658.A N VAL 654.A O no hydrogen 3.012 N/A GLY 659.A N ALA 655.A O no hydrogen 2.999 N/A ARG 660.A N PRO 677.A O no hydrogen 2.876 N/A ARG 660.A NH2 SER 678.A OXT no hydrogen 3.011 N/A ARG 661.A N ASN 656.A O no hydrogen 2.894 N/A ARG 661.A NE GLU 657.A O no hydrogen 2.998 N/A ARG 661.A NH1 GLU 657.A OE2 no hydrogen 3.351 N/A ARG 661.A NH2 GLY 436.A O no hydrogen 3.244 N/A ALA 663.A N ASP 435.A OD1 no hydrogen 3.062 N/A LEU 664.A N ARG 421.A O no hydrogen 3.139 N/A GLU 668.A N GLU 668.A OE1 no hydrogen 2.489 N/A LYS 669.A N ALA 666.A O no hydrogen 2.998 N/A SER 670.A N LEU 667.A O no hydrogen 3.392 N/A GLN 671.A NE2 LYS 669.A O no hydrogen 2.814 N/A SER 672.A OG ASP 630.A OD2 no hydrogen 3.345 N/A PHE 673.A N PHE 3.A O no hydrogen 2.639 N/A ILE 675.A N SER 1.A O no hydrogen 3.172 N/A