Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8gwi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ALA 2.A O no hydrogen 2.824 N/A SER 6.A N ASP 3.A O no hydrogen 3.034 N/A PHE 7.A N ASP 3.A O no hydrogen 2.503 N/A LEU 8.A N ALA 4.A O no hydrogen 3.107 N/A ARG 10.A N SER 6.A O no hydrogen 2.939 N/A ARG 10.A NH1 ARG 10.A O no hydrogen 2.721 N/A VAL 11.A N PHE 7.A O no hydrogen 2.886 N/A CYS 12.A N LEU 8.A O no hydrogen 2.879 N/A CYS 12.A SG ALA 17.A O no hydrogen 3.134 N/A THR 20.A N GLN 57.A O no hydrogen 2.875 N/A THR 20.A OG1 PRO 21.A O no hydrogen 3.350 N/A CYS 22.A N ARG 55.A O no hydrogen 3.249 N/A SER 27.A OG THR 28.A O no hydrogen 3.406 N/A THR 28.A OG1 THR 51.A O no hydrogen 3.207 N/A ASP 29.A N CYS 53.A O no hydrogen 2.370 N/A VAL 31.A N LYS 50.A O no hydrogen 3.415 N/A ARG 33.A N PHE 48.A O no hydrogen 3.220 N/A PHE 35.A N ALA 46.A O no hydrogen 2.958 N/A ILE 37.A N GLY 44.A O no hydrogen 3.129 N/A TYR 38.A OH GLU 729.A OE2 no hydrogen 2.756 N/A ASN 39.A N VAL 42.A O no hydrogen 3.182 N/A VAL 42.A N ASN 39.A OD1 no hydrogen 3.108 N/A GLY 44.A N ILE 37.A O no hydrogen 3.296 N/A PHE 45.A N LEU 708.A O no hydrogen 3.252 N/A LYS 50.A N VAL 31.A O no hydrogen 3.020 N/A LYS 50.A NZ ASN 52.A OD1 no hydrogen 3.321 N/A ASN 52.A ND2 ARG 74.A O no hydrogen 2.791 N/A ASN 52.A ND2 HIS 75.A ND1 no hydrogen 3.303 N/A CYS 53.A SG ASN 52.A O no hydrogen 3.024 N/A CYS 54.A N VAL 72.A O no hydrogen 2.942 N/A CYS 54.A SG SER 27.A O no hydrogen 3.787 N/A CYS 54.A SG VAL 72.A O no hydrogen 3.537 N/A PHE 56.A N PHE 70.A O no hydrogen 3.053 N/A GLN 57.A N THR 20.A O no hydrogen 3.049 N/A GLN 57.A NE2 ILE 66.A O no hydrogen 2.834 N/A GLU 58.A N SER 68.A O no hydrogen 3.066 N/A LYS 59.A N ARG 18.A O no hydrogen 2.699 N/A ASP 63.A N ASP 60.A O no hydrogen 3.046 N/A ILE 66.A N GLU 58.A O no hydrogen 3.210 N/A TYR 69.A N LEU 119.A O no hydrogen 3.021 N/A PHE 70.A N PHE 56.A O no hydrogen 2.891 N/A VAL 71.A N ARG 116.A O no hydrogen 3.089 N/A VAL 72.A N CYS 54.A O no hydrogen 2.998 N/A LYS 73.A N ILE 114.A O no hydrogen 3.078 N/A LYS 73.A NZ GLU 83.A OE2 no hydrogen 3.521 N/A ARG 74.A NH1 THR 26.A O no hydrogen 3.234 N/A ARG 74.A NH2 THR 26.A O no hydrogen 3.301 N/A TYR 80.A N THR 76.A O no hydrogen 2.765 N/A GLN 81.A N PHE 77.A O no hydrogen 3.160 N/A HIS 82.A N SER 78.A O no hydrogen 2.954 N/A GLU 83.A N ASN 79.A O no hydrogen 2.885 N/A GLU 84.A N TYR 80.A O no hydrogen 2.938 N/A THR 85.A N GLN 81.A O no hydrogen 2.922 N/A THR 85.A OG1 GLN 81.A O no hydrogen 3.150 N/A ILE 86.A N HIS 82.A O no hydrogen 3.005 N/A TYR 87.A N GLU 83.A O no hydrogen 2.885 N/A ASN 88.A N GLU 84.A O no hydrogen 2.891 N/A LEU 89.A N THR 85.A O no hydrogen 2.989 N/A LEU 90.A N ILE 86.A O no hydrogen 2.932 N/A LEU 90.A N TYR 87.A O no hydrogen 2.910 N/A LYS 91.A NZ ASN 88.A OD1 no hydrogen 3.128 N/A CYS 93.A SG GLN 191.A O no hydrogen 4.004 N/A ALA 97.A N TRP 216.A O no hydrogen 2.980 N/A LYS 98.A NZ HIS 99.A O no hydrogen 3.210 N/A HIS 99.A ND1 ALA 97.A O no hydrogen 3.000 N/A ASP 100.A N SER 115.A O no hydrogen 2.903 N/A PHE 102.A N HIS 113.A O no hydrogen 3.433 N/A PHE 104.A N VAL 111.A O no hydrogen 3.233 N/A ARG 105.A NE ASP 107.A O no hydrogen 2.997 N/A ARG 105.A NH2 GLY 108.A O no hydrogen 2.492 N/A VAL 111.A N PHE 104.A O no hydrogen 3.171 N/A HIS 113.A N PHE 102.A O no hydrogen 3.179 N/A SER 115.A N ASP 100.A O no hydrogen 3.046 N/A ARG 116.A N VAL 71.A O no hydrogen 2.889 N/A ARG 118.A NH2 SER 15.A OG no hydrogen 3.252 N/A LEU 119.A N TYR 69.A O no hydrogen 3.151 N/A THR 120.A OG1 TYR 122.A O no hydrogen 2.882 N/A LYS 121.A NZ GLU 144.A OE2 no hydrogen 2.926 N/A TYR 122.A OH GLU 144.A OE1 no hydrogen 3.115 N/A THR 123.A N ASP 126.A OD2 no hydrogen 3.304 N/A THR 123.A OG1 ASP 126.A OD2 no hydrogen 2.774 N/A MET 124.A N GLN 210.A O no hydrogen 3.086 N/A VAL 128.A N MET 124.A O no hydrogen 2.970 N/A TYR 129.A N ALA 125.A O no hydrogen 2.877 N/A ALA 130.A N ASP 126.A O no hydrogen 2.891 N/A LEU 131.A N LEU 127.A O no hydrogen 2.968 N/A ARG 132.A N VAL 128.A O no hydrogen 2.915 N/A ARG 132.A NH1 LEU 240.A O no hydrogen 3.297 N/A ARG 132.A NH1 ASP 465.A OD2 no hydrogen 3.568 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.811 N/A GLY 137.A N ASP 135.A OD1 no hydrogen 3.072 N/A ASN 138.A N ASP 135.A O no hydrogen 3.206 N/A ASN 138.A ND2 ASN 138.A O no hydrogen 2.403 N/A LYS 143.A N CYS 139.A O no hydrogen 3.219 N/A GLU 144.A N ASP 140.A O no hydrogen 2.912 N/A ILE 145.A N THR 141.A O no hydrogen 2.919 N/A LEU 146.A N LEU 142.A O no hydrogen 2.902 N/A VAL 147.A N LYS 143.A O no hydrogen 2.950 N/A THR 148.A N GLU 144.A O no hydrogen 2.941 N/A CYS 151.A N LEU 146.A O no hydrogen 3.246 N/A CYS 151.A SG TYR 149.A O no hydrogen 3.940 N/A CYS 152.A SG ASP 153.A O no hydrogen 3.950 N/A TYR 156.A N ASP 153.A O no hydrogen 2.974 N/A TYR 156.A OH ASP 170.A OD2 no hydrogen 2.834 N/A ASN 158.A N ASP 155.A O no hydrogen 3.387 N/A VAL 166.A N ASP 164.A OD1 no hydrogen 3.147 N/A ASN 168.A ND2 TYR 156.A OH no hydrogen 3.506 N/A ASN 168.A ND2 TRP 162.A O no hydrogen 3.181 N/A ARG 173.A NE ASP 170.A OD1 no hydrogen 2.745 N/A ARG 173.A NE ASP 170.A OD2 no hydrogen 3.402 N/A ARG 173.A NH2 ASP 170.A OD2 no hydrogen 2.997 N/A VAL 174.A N ASP 170.A O no hydrogen 2.972 N/A TYR 175.A N ILE 171.A O no hydrogen 2.848 N/A TYR 175.A OH TYR 787.A OH no hydrogen 3.145 N/A ALA 176.A N LEU 172.A O no hydrogen 2.933 N/A ASN 177.A ND2 CYS 151.A O no hydrogen 3.422 N/A LEU 178.A N TYR 175.A O no hydrogen 3.390 N/A ARG 181.A NE LEU 212.A O no hydrogen 3.329 N/A ARG 181.A NH2 ASN 213.A OD1 no hydrogen 2.911 N/A VAL 182.A N LEU 178.A O no hydrogen 3.011 N/A ARG 183.A N GLY 179.A O no hydrogen 2.888 N/A ARG 183.A NE TYR 286.A OH no hydrogen 3.153 N/A ARG 183.A NH1 GLU 180.A OE2 no hydrogen 2.721 N/A GLN 184.A N GLU 180.A O no hydrogen 2.941 N/A GLN 184.A NE2 GLU 180.A OE2 no hydrogen 3.532 N/A ALA 185.A N ARG 181.A O no hydrogen 2.954 N/A LEU 186.A N VAL 182.A O no hydrogen 2.934 N/A LEU 187.A N ARG 183.A O no hydrogen 2.988 N/A LYS 188.A N GLN 184.A O no hydrogen 2.954 N/A LYS 188.A NZ ASN 215.A OD1 no hydrogen 2.945 N/A THR 189.A N ALA 185.A O no hydrogen 2.897 N/A THR 189.A OG1 ALA 185.A O no hydrogen 3.167 N/A THR 189.A OG1 TYR 237.A OH no hydrogen 2.846 N/A VAL 190.A N LEU 186.A O no hydrogen 3.000 N/A GLN 191.A N LEU 187.A O no hydrogen 2.995 N/A PHE 192.A N LYS 188.A O no hydrogen 2.908 N/A CYS 193.A N THR 189.A O no hydrogen 2.935 N/A CYS 193.A SG THR 189.A O no hydrogen 3.140 N/A ASP 194.A N VAL 190.A O no hydrogen 2.984 N/A ALA 195.A N GLN 191.A O no hydrogen 2.955 N/A MET 196.A N PHE 192.A O no hydrogen 2.906 N/A ARG 197.A N CYS 193.A O no hydrogen 2.939 N/A ARG 197.A NH2 ASN 198.A OD1 no hydrogen 3.532 N/A ASN 198.A N ASP 194.A O no hydrogen 2.965 N/A ALA 199.A N ALA 195.A O no hydrogen 2.928 N/A GLY 200.A N MET 196.A O no hydrogen 3.135 N/A ILE 201.A N MET 196.A O no hydrogen 3.273 N/A VAL 202.A N ILE 223.A O no hydrogen 3.359 N/A LEU 205.A N VAL 233.A O no hydrogen 3.043 N/A THR 206.A OG1 ASP 208.A OD1 no hydrogen 2.915 N/A GLN 210.A NE2 ALA 185.A O no hydrogen 3.379 N/A GLN 210.A NE2 GLY 214.A O no hydrogen 3.108 N/A ASP 211.A N ASN 215.A O no hydrogen 3.389 N/A LEU 212.A N THR 120.A OG1 no hydrogen 3.384 N/A ASN 213.A N ASP 211.A OD1 no hydrogen 2.629 N/A GLY 214.A N ASP 211.A O no hydrogen 3.147 N/A GLY 214.A N ASP 211.A OD1 no hydrogen 3.144 N/A TRP 216.A N ALA 95.A O no hydrogen 3.143 N/A TYR 217.A N ASN 209.A O no hydrogen 3.364 N/A ILE 223.A N VAL 202.A O no hydrogen 3.089 N/A THR 225.A N GLY 200.A O no hydrogen 2.813 N/A SER 229.A N THR 226.A O no hydrogen 3.214 N/A VAL 233.A N GLY 203.A O no hydrogen 3.064 N/A TYR 237.A OH GLN 210.A OE1 no hydrogen 3.029 N/A SER 239.A N ASP 235.A O no hydrogen 2.949 N/A SER 239.A OG ASP 465.A OD1 no hydrogen 2.349 N/A LEU 240.A N SER 236.A O no hydrogen 2.873 N/A LEU 241.A N TYR 237.A O no hydrogen 2.977 N/A MET 242.A N TYR 238.A O no hydrogen 2.928 N/A ILE 244.A N LEU 241.A O no hydrogen 3.104 N/A LEU 245.A N MET 242.A O no hydrogen 3.116 N/A THR 246.A OG1 PRO 243.A O no hydrogen 3.542 N/A THR 248.A N ILE 244.A O no hydrogen 3.343 N/A THR 248.A OG1 ILE 244.A O no hydrogen 3.196 N/A ALA 250.A N LEU 245.A O no hydrogen 3.247 N/A THR 252.A OG1 ARG 249.A O no hydrogen 2.856 N/A GLU 254.A N LEU 251.A O no hydrogen 3.468 N/A SER 255.A N THR 252.A O no hydrogen 3.307 N/A SER 255.A OG THR 252.A O no hydrogen 2.639 N/A HIS 256.A ND1 LYS 263.A O no hydrogen 2.645 N/A VAL 257.A N PRO 264.A O no hydrogen 3.097 N/A THR 262.A OG1 ASP 260.A OD1 no hydrogen 3.174 N/A LYS 263.A N ASP 260.A O no hydrogen 3.378 N/A ILE 266.A N SER 255.A O no hydrogen 3.067 N/A ASP 269.A N ASP 269.A OD1 no hydrogen 2.383 N/A LYS 272.A N ASP 269.A O no hydrogen 3.402 N/A THR 276.A OG1 ASP 274.A O no hydrogen 3.426 N/A THR 276.A OG1 ASP 274.A OD1 no hydrogen 2.624 N/A GLU 278.A N GLU 278.A OE1 no hydrogen 2.526 N/A ARG 279.A NH1 SER 318.A OG no hydrogen 2.779 N/A LYS 281.A N GLU 277.A O no hydrogen 2.930 N/A LEU 282.A N GLU 278.A O no hydrogen 2.894 N/A PHE 283.A N ARG 279.A O no hydrogen 2.936 N/A ASP 284.A N LEU 280.A O no hydrogen 2.911 N/A ARG 285.A N LYS 281.A O no hydrogen 2.903 N/A ARG 285.A N LEU 282.A O no hydrogen 3.187 N/A ARG 285.A NH2 GLU 254.A OE1 no hydrogen 2.887 N/A ARG 285.A NH2 GLU 254.A OE2 no hydrogen 2.745 N/A TYR 286.A N LEU 282.A O no hydrogen 2.954 N/A TYR 286.A OH GLU 254.A OE2 no hydrogen 2.327 N/A PHE 287.A N PHE 283.A O no hydrogen 2.867 N/A LYS 288.A NZ ASP 194.A OD1 no hydrogen 3.090 N/A LYS 288.A NZ ASP 194.A OD2 no hydrogen 3.384 N/A TYR 289.A OH ASP 194.A OD1 no hydrogen 2.841 N/A TRP 290.A NE1 HIS 309.A NE2 no hydrogen 3.108 N/A TYR 294.A OH ASN 314.A OD1 no hydrogen 2.759 N/A CYS 298.A N LEU 351.A O no hydrogen 3.274 N/A CYS 298.A SG GLU 350.A O no hydrogen 3.771 N/A ASN 300.A N ASN 297.A O no hydrogen 3.377 N/A CYS 301.A SG HIS 295.A ND1 no hydrogen 3.662 N/A CYS 301.A SG CYS 298.A O no hydrogen 3.837 N/A ARG 305.A N ASP 304.A OD1 no hydrogen 2.968 N/A ARG 305.A NH1 LEU 470.A O no hydrogen 3.294 N/A CYS 306.A SG HIS 295.A ND1 no hydrogen 3.484 N/A ILE 307.A N ASP 303.A O no hydrogen 3.078 N/A LEU 308.A N ASP 304.A O no hydrogen 2.928 N/A HIS 309.A N ARG 305.A O no hydrogen 2.935 N/A CYS 310.A N CYS 306.A O no hydrogen 2.929 N/A CYS 310.A SG HIS 295.A ND1 no hydrogen 3.538 N/A CYS 310.A SG CYS 306.A O no hydrogen 3.167 N/A CYS 310.A SG HIS 309.A ND1 no hydrogen 3.912 N/A ALA 311.A N ILE 307.A O no hydrogen 2.889 N/A ASN 312.A N LEU 308.A O no hydrogen 2.975 N/A ASN 312.A ND2 CYS 464.A O no hydrogen 3.103 N/A ASN 314.A N CYS 310.A O no hydrogen 2.962 N/A ASN 314.A ND2 PRO 296.A O no hydrogen 3.044 N/A ASN 314.A ND2 GLU 350.A O no hydrogen 2.821 N/A VAL 315.A N ALA 311.A O no hydrogen 2.910 N/A PHE 317.A N PHE 313.A O no hydrogen 2.962 N/A SER 318.A N ASN 314.A O no hydrogen 2.907 N/A SER 318.A OG ASN 314.A O no hydrogen 2.806 N/A SER 318.A OG ARG 349.A O no hydrogen 2.684 N/A THR 319.A OG1 LEU 316.A O no hydrogen 2.881 N/A SER 325.A OG PRO 322.A O no hydrogen 3.288 N/A GLY 327.A N HIS 347.A O no hydrogen 3.149 N/A LEU 329.A N GLY 345.A O no hydrogen 3.413 N/A ARG 331.A N VAL 342.A O no hydrogen 3.095 N/A PHE 334.A N LEU 361.A O no hydrogen 2.980 N/A VAL 335.A N VAL 338.A O no hydrogen 3.003 N/A ASP 336.A N SER 363.A O no hydrogen 3.401 N/A VAL 338.A N VAL 335.A O no hydrogen 3.239 N/A PHE 340.A N ILE 333.A O no hydrogen 2.701 N/A VAL 342.A N ARG 331.A O no hydrogen 3.242 N/A THR 344.A N LEU 329.A O no hydrogen 2.929 N/A TYR 346.A N VAL 354.A O no hydrogen 2.986 N/A HIS 347.A N GLY 327.A O no hydrogen 2.968 N/A HIS 347.A ND1 SER 325.A O no hydrogen 2.499 N/A PHE 348.A N GLY 352.A O no hydrogen 2.860 N/A VAL 353.A N ASN 297.A OD1 no hydrogen 3.448 N/A VAL 354.A N TYR 346.A O no hydrogen 2.922 N/A ASN 356.A N THR 344.A O no hydrogen 3.519 N/A GLN 357.A N ARG 533.A O no hydrogen 3.284 N/A SER 363.A N PHE 334.A O no hydrogen 3.387 N/A ARG 365.A NH1 LEU 366.A O no hydrogen 3.442 N/A SER 367.A N GLU 370.A OE1 no hydrogen 3.468 N/A LEU 371.A N SER 367.A O no hydrogen 3.161 N/A LEU 372.A N PHE 368.A O no hydrogen 2.926 N/A VAL 373.A N LYS 369.A O no hydrogen 2.888 N/A TYR 374.A N GLU 370.A O no hydrogen 2.909 N/A ALA 375.A N LEU 371.A O no hydrogen 2.905 N/A ALA 376.A N VAL 373.A O no hydrogen 3.336 N/A ALA 382.A N PRO 378.A O no hydrogen 2.903 N/A ALA 383.A N ALA 379.A O no hydrogen 2.894 N/A SER 384.A N MET 380.A O no hydrogen 2.937 N/A SER 384.A OG MET 380.A O no hydrogen 3.186 N/A ASN 386.A N ALA 400.A O no hydrogen 3.249 N/A ARG 392.A N ASP 390.A OD1 no hydrogen 2.821 N/A THR 393.A OG1 ASP 454.A OD1 no hydrogen 2.511 N/A CYS 395.A N THR 393.A OG1 no hydrogen 3.216 N/A CYS 395.A SG THR 393.A OG1 no hydrogen 3.595 N/A SER 397.A OG LEU 388.A O no hydrogen 3.177 N/A VAL 398.A N LEU 673.A O no hydrogen 3.091 N/A ALA 400.A N ASN 386.A O no hydrogen 2.991 N/A LEU 401.A N GLY 671.A O no hydrogen 3.305 N/A ASN 404.A N THR 402.A OG1 no hydrogen 3.100 N/A VAL 410.A N GLN 444.A O no hydrogen 3.292 N/A ASN 414.A N VAL 844.A O no hydrogen 2.797 N/A ASN 416.A N CYS 842.A O no hydrogen 3.044 N/A TYR 420.A N ASN 416.A O no hydrogen 3.416 N/A ASP 421.A N LYS 417.A O no hydrogen 2.911 N/A PHE 422.A N ASP 418.A O no hydrogen 2.918 N/A ALA 423.A N PHE 419.A O no hydrogen 2.889 N/A VAL 424.A N TYR 420.A O no hydrogen 2.908 N/A SER 425.A N ASP 421.A O no hydrogen 2.922 N/A SER 425.A OG PHE 422.A O no hydrogen 3.199 N/A LYS 426.A N ALA 423.A O no hydrogen 3.179 N/A GLY 427.A N VAL 424.A O no hydrogen 3.302 N/A GLU 431.A N GLU 431.A OE2 no hydrogen 2.370 N/A SER 433.A N LYS 430.A O no hydrogen 3.380 N/A SER 433.A OG GLU 876.A OE2 no hydrogen 3.541 N/A SER 434.A OG GLU 876.A OE2 no hydrogen 3.281 N/A HIS 439.A ND1 SER 835.A OG no hydrogen 2.892 N/A PHE 440.A N SER 549.A O no hydrogen 3.125 N/A GLN 444.A N VAL 410.A O no hydrogen 3.392 N/A GLN 444.A NE2 ASN 552.A O no hydrogen 3.620 N/A ASN 447.A ND2 ASN 447.A O no hydrogen 2.547 N/A ASP 452.A N ALA 448.A O no hydrogen 2.907 N/A TYR 453.A N ALA 449.A O no hydrogen 2.899 N/A ASP 454.A N ILE 450.A O no hydrogen 2.920 N/A TYR 455.A N ASP 452.A O no hydrogen 3.326 N/A TYR 456.A N TYR 453.A O no hydrogen 3.360 N/A TYR 458.A N TYR 455.A O no hydrogen 3.489 N/A ASN 459.A N TYR 456.A O no hydrogen 3.196 N/A ASN 459.A ND2 ARG 624.A O no hydrogen 3.431 N/A ASN 459.A ND2 MET 626.A O no hydrogen 3.386 N/A THR 462.A OG1 LEU 460.A O no hydrogen 3.439 N/A MET 463.A N THR 246.A OG1 no hydrogen 3.228 N/A CYS 464.A N ASN 312.A OD1 no hydrogen 3.267 N/A ARG 467.A NE ASP 235.A OD2 no hydrogen 3.311 N/A ARG 467.A NH1 GLN 292.A OE1 no hydrogen 3.294 N/A ARG 467.A NH2 GLN 292.A OE1 no hydrogen 3.138 N/A GLN 468.A N ASP 465.A O no hydrogen 3.321 N/A GLN 468.A NE2 TYR 788.A OH no hydrogen 3.324 N/A LEU 469.A N ASP 465.A O no hydrogen 3.029 N/A LEU 470.A N ILE 466.A O no hydrogen 2.939 N/A PHE 471.A N GLN 468.A O no hydrogen 3.207 N/A VAL 472.A N GLN 468.A O no hydrogen 2.965 N/A VAL 473.A N LEU 469.A O no hydrogen 2.918 N/A VAL 475.A N PHE 471.A O no hydrogen 3.040 N/A VAL 476.A N VAL 472.A O no hydrogen 2.914 N/A ASP 477.A N VAL 473.A O no hydrogen 2.908 N/A LYS 478.A N GLU 474.A O no hydrogen 2.942 N/A LYS 478.A NZ ASN 743.A OD1 no hydrogen 2.316 N/A TYR 479.A N VAL 475.A O no hydrogen 2.969 N/A PHE 480.A N VAL 476.A O no hydrogen 2.946 N/A CYS 487.A SG HIS 642.A ND1 no hydrogen 3.438 N/A GLN 492.A N ASN 489.A O no hydrogen 3.295 N/A ILE 494.A N GLN 573.A OE1 no hydrogen 2.797 N/A LYS 508.A N PRO 505.A O no hydrogen 3.462 N/A ALA 512.A N LYS 500.A O no hydrogen 3.200 N/A ARG 513.A NH2 ASP 499.A OD1 no hydrogen 2.346 N/A TYR 515.A OH PHE 506.A O no hydrogen 2.894 N/A TYR 516.A N ALA 512.A O no hydrogen 2.920 N/A ASP 517.A N ARG 513.A O no hydrogen 2.910 N/A SER 518.A N LEU 514.A O no hydrogen 2.963 N/A SER 518.A OG LEU 514.A O no hydrogen 2.370 N/A SER 520.A OG GLU 522.A OE2 no hydrogen 2.738 N/A GLU 522.A N GLU 522.A OE1 no hydrogen 2.327 N/A GLN 524.A N SER 520.A O no hydrogen 3.200 N/A GLN 524.A NE2 MET 519.A O no hydrogen 3.415 N/A ASP 525.A N TYR 521.A O no hydrogen 2.938 N/A ALA 526.A N GLU 522.A O no hydrogen 2.867 N/A LEU 527.A N ASP 523.A O no hydrogen 2.925 N/A PHE 528.A N GLN 524.A O no hydrogen 2.898 N/A ALA 529.A N ASP 525.A O no hydrogen 2.918 N/A TYR 530.A N LEU 527.A O no hydrogen 3.166 N/A THR 531.A N PHE 528.A O no hydrogen 3.392 N/A THR 531.A OG1 PHE 528.A O no hydrogen 3.279 N/A ARG 533.A NE ASP 358.A OD2 no hydrogen 2.750 N/A ARG 533.A NH2 ASP 358.A OD1 no hydrogen 2.685 N/A ARG 533.A NH2 ASP 358.A OD2 no hydrogen 3.496 N/A ASN 534.A ND2 ASP 358.A O no hydrogen 3.369 N/A VAL 535.A N ASN 356.A OD1 no hydrogen 2.998 N/A ILE 536.A N ASN 657.A OD1 no hydrogen 3.020 N/A THR 540.A N MET 666.A O no hydrogen 3.157 N/A THR 540.A OG1 GLU 665.A OE2 no hydrogen 3.040 N/A GLN 541.A N GLY 559.A O no hydrogen 3.117 N/A ASN 543.A N VAL 557.A O no hydrogen 3.047 N/A LYS 545.A N ARG 555.A O no hydrogen 3.046 N/A TYR 546.A OH PRO 412.A O no hydrogen 2.692 N/A SER 549.A N PHE 440.A O no hydrogen 3.356 N/A SER 549.A OG LYS 551.A O no hydrogen 2.736 N/A ARG 555.A NH1 ILE 548.A O no hydrogen 3.524 N/A ARG 555.A NH2 ALA 547.A O no hydrogen 3.032 N/A THR 556.A OG1 ASN 543.A O no hydrogen 3.402 N/A VAL 557.A N ASN 543.A O no hydrogen 3.068 N/A ALA 558.A N SER 682.A O no hydrogen 3.464 N/A GLY 559.A N GLN 541.A O no hydrogen 2.627 N/A SER 561.A OG PHE 504.A O no hydrogen 3.547 N/A SER 564.A OG GLN 661.A OE1 no hydrogen 3.160 N/A THR 565.A N SER 561.A O no hydrogen 3.445 N/A THR 565.A OG1 SER 561.A O no hydrogen 3.555 N/A MET 566.A N ILE 562.A O no hydrogen 2.923 N/A THR 567.A OG1 SER 564.A O no hydrogen 3.174 N/A ASN 568.A N SER 564.A O no hydrogen 2.922 N/A ARG 569.A N THR 565.A O no hydrogen 2.929 N/A ARG 569.A NE TYR 516.A OH no hydrogen 3.529 N/A GLN 570.A NE2 ILE 488.A O no hydrogen 3.226 N/A PHE 571.A N THR 567.A O no hydrogen 2.962 N/A HIS 572.A N ASN 568.A O no hydrogen 2.936 N/A HIS 572.A N ARG 569.A O no hydrogen 3.230 N/A GLN 573.A N ARG 569.A O no hydrogen 2.881 N/A GLN 573.A NE2 ILE 494.A O no hydrogen 3.250 N/A LEU 576.A N HIS 572.A O no hydrogen 2.991 N/A LYS 577.A N GLN 573.A O no hydrogen 2.861 N/A SER 578.A N LYS 574.A O no hydrogen 2.937 N/A SER 578.A OG ASP 484.A OD1 no hydrogen 3.265 N/A ILE 579.A N LEU 575.A O no hydrogen 2.925 N/A ALA 580.A N LEU 576.A O no hydrogen 3.262 N/A THR 582.A OG1 SER 578.A O no hydrogen 3.324 N/A ARG 583.A NH1 THR 582.A O no hydrogen 3.420 N/A VAL 588.A N ILE 757.A O no hydrogen 3.085 N/A TYR 595.A N MET 924.A O no hydrogen 3.022 N/A GLY 597.A N PHE 594.A O no hydrogen 3.275 N/A TRP 598.A NE1 THR 817.A OG1 no hydrogen 3.203 N/A ASN 600.A N GLY 596.A O no hydrogen 3.233 N/A MET 601.A N GLY 597.A O no hydrogen 2.926 N/A LEU 602.A N TRP 598.A O no hydrogen 2.951 N/A LYS 603.A N HIS 599.A O no hydrogen 2.910 N/A THR 604.A N ASN 600.A O no hydrogen 2.903 N/A THR 604.A OG1 ASN 600.A O no hydrogen 2.776 N/A VAL 605.A N MET 601.A O no hydrogen 2.949 N/A TYR 606.A N LEU 602.A O no hydrogen 3.202 N/A TYR 606.A OH LEU 805.A O no hydrogen 3.384 N/A SER 607.A N THR 604.A O no hydrogen 3.229 N/A SER 607.A OG ASP 608.A OD1 no hydrogen 3.324 N/A VAL 609.A N TYR 606.A O no hydrogen 3.501 N/A HIS 613.A N PHE 766.A O no hydrogen 3.207 N/A HIS 613.A ND1 PRO 612.A O no hydrogen 2.679 N/A LEU 614.A N GLU 802.A O no hydrogen 2.915 N/A MET 615.A N VAL 764.A O no hydrogen 3.112 N/A GLY 616.A N TRP 800.A O no hydrogen 3.429 N/A TYR 619.A OH ASN 695.A OD1 no hydrogen 2.589 N/A CYS 622.A SG ASP 760.A OD1 no hydrogen 3.789 N/A ARG 624.A NE ASP 623.A OD2 no hydrogen 3.261 N/A ARG 624.A NH1 ASP 452.A O no hydrogen 2.853 N/A ARG 624.A NH2 ASP 452.A OD1 no hydrogen 3.428 N/A ASN 628.A ND2 GLU 350.A OE2 no hydrogen 2.651 N/A ILE 632.A N ASN 628.A O no hydrogen 2.935 N/A MET 633.A N MET 629.A O no hydrogen 2.905 N/A ALA 634.A N LEU 630.A O no hydrogen 2.894 N/A SER 635.A N ARG 631.A O no hydrogen 2.969 N/A SER 635.A OG ARG 631.A O no hydrogen 3.483 N/A LEU 636.A N ILE 632.A O no hydrogen 2.916 N/A VAL 637.A N MET 633.A O no hydrogen 2.887 N/A LEU 638.A N ALA 634.A O no hydrogen 2.946 N/A ALA 639.A N SER 635.A O no hydrogen 2.929 N/A ARG 640.A N VAL 637.A O no hydrogen 3.390 N/A ARG 640.A NE ASP 304.A OD2 no hydrogen 3.163 N/A ARG 640.A NH2 ASP 304.A OD2 no hydrogen 3.426 N/A ARG 640.A NH2 GLU 474.A OE2 no hydrogen 3.359 N/A LYS 641.A NZ PHE 480.A O no hydrogen 3.456 N/A CYS 645.A SG HIS 642.A ND1 no hydrogen 3.418 N/A CYS 646.A SG HIS 642.A ND1 no hydrogen 3.703 N/A PHE 652.A N LEU 648.A O no hydrogen 3.478 N/A TYR 653.A N SER 649.A O no hydrogen 2.944 N/A TYR 653.A OH HIS 355.A O no hydrogen 2.997 N/A ARG 654.A N HIS 650.A O no hydrogen 2.914 N/A ARG 654.A NH1 THR 531.A OG1 no hydrogen 2.968 N/A LEU 655.A N ARG 651.A O no hydrogen 2.931 N/A ALA 656.A N PHE 652.A O no hydrogen 2.884 N/A ASN 657.A N TYR 653.A O no hydrogen 2.910 N/A ASN 657.A ND2 ASN 534.A O no hydrogen 2.571 N/A ASN 657.A ND2 TYR 653.A O no hydrogen 3.290 N/A GLU 658.A N ARG 654.A O no hydrogen 2.949 N/A CYS 659.A N LEU 655.A O no hydrogen 2.917 N/A CYS 659.A SG LEU 655.A O no hydrogen 3.151 N/A ALA 660.A N ALA 656.A O no hydrogen 2.891 N/A GLN 661.A N ASN 657.A O no hydrogen 2.950 N/A GLN 661.A N GLU 658.A O no hydrogen 3.287 N/A GLN 661.A NE2 ILE 536.A O no hydrogen 3.063 N/A VAL 662.A N GLU 658.A O no hydrogen 2.928 N/A LEU 663.A N CYS 659.A O no hydrogen 3.313 N/A SER 664.A N CYS 659.A O no hydrogen 3.273 N/A SER 664.A OG SER 664.A O no hydrogen 2.615 N/A VAL 667.A N TYR 674.A O no hydrogen 3.122 N/A MET 668.A N THR 540.A O no hydrogen 2.778 N/A CYS 669.A N SER 672.A O no hydrogen 3.229 N/A SER 672.A N CYS 669.A O no hydrogen 3.221 N/A LEU 673.A N ALA 399.A O no hydrogen 2.911 N/A TYR 674.A N VAL 667.A O no hydrogen 2.958 N/A TYR 674.A OH ASP 390.A OD2 no hydrogen 2.585 N/A VAL 675.A N PHE 396.A O no hydrogen 3.141 N/A LYS 676.A N GLU 665.A O no hydrogen 3.239 N/A GLY 679.A N ASN 628.A OD1 no hydrogen 3.488 N/A THR 680.A N ASP 623.A O no hydrogen 3.386 N/A THR 686.A OG1 THR 686.A O no hydrogen 2.401 N/A THR 687.A OG1 ASP 684.A O no hydrogen 3.314 N/A THR 687.A OG1 ASP 684.A OD2 no hydrogen 3.395 N/A ASN 691.A N THR 687.A O no hydrogen 2.947 N/A SER 692.A N ALA 688.A O no hydrogen 2.913 N/A SER 692.A OG ALA 688.A O no hydrogen 2.635 N/A VAL 693.A N TYR 689.A O no hydrogen 2.961 N/A PHE 694.A N ALA 690.A O no hydrogen 2.939 N/A ASN 695.A N ASN 691.A O no hydrogen 2.917 N/A ILE 696.A N SER 692.A O no hydrogen 2.962 N/A CYS 697.A N VAL 693.A O no hydrogen 2.927 N/A GLN 698.A N PHE 694.A O no hydrogen 2.969 N/A GLN 698.A NE2 GLN 789.A OE1 no hydrogen 2.896 N/A ALA 699.A N ASN 695.A O no hydrogen 2.990 N/A VAL 700.A N ILE 696.A O no hydrogen 2.943 N/A THR 701.A N CYS 697.A O no hydrogen 2.982 N/A ALA 702.A N GLN 698.A O no hydrogen 2.954 N/A ASN 703.A N ALA 699.A O no hydrogen 2.988 N/A ASN 703.A ND2 ALA 699.A O no hydrogen 3.108 N/A VAL 704.A N VAL 700.A O no hydrogen 2.949 N/A ASN 705.A N THR 701.A O no hydrogen 2.913 N/A ASN 705.A ND2 TYR 788.A OH no hydrogen 2.877 N/A ALA 706.A N ALA 702.A O no hydrogen 2.923 N/A LEU 707.A N ASN 703.A O no hydrogen 2.961 N/A LEU 708.A N VAL 704.A O no hydrogen 2.935 N/A THR 710.A OG1 ALA 706.A O no hydrogen 3.296 N/A THR 710.A OG1 GLY 774.A O no hydrogen 3.380 N/A ASN 713.A N ASP 711.A OD1 no hydrogen 3.198 N/A ASN 713.A ND2 ASP 711.A OD1 no hydrogen 3.326 N/A LYS 714.A N ASP 711.A O no hydrogen 3.392 N/A TYR 719.A N ASP 717.A OD1 no hydrogen 3.255 N/A ARG 721.A NE GLY 712.A O no hydrogen 3.229 N/A ASN 722.A N LYS 718.A O no hydrogen 2.935 N/A LEU 723.A N TYR 719.A O no hydrogen 2.904 N/A GLN 724.A N VAL 720.A O no hydrogen 2.900 N/A GLN 724.A NE2 LEU 707.A O no hydrogen 3.319 N/A GLN 724.A NE2 THR 710.A O no hydrogen 3.240 N/A HIS 725.A N ARG 721.A O no hydrogen 2.973 N/A ARG 726.A N ASN 722.A O no hydrogen 2.913 N/A ARG 726.A NH1 ASP 738.A OD2 no hydrogen 2.868 N/A LEU 727.A N LEU 723.A O no hydrogen 2.859 N/A TYR 728.A N GLN 724.A O no hydrogen 2.986 N/A TYR 728.A OH ASP 36.A OD1 no hydrogen 3.210 N/A GLU 729.A N HIS 725.A O no hydrogen 2.997 N/A CYS 730.A N ARG 726.A O no hydrogen 2.865 N/A CYS 730.A SG ASP 738.A OD2 no hydrogen 3.767 N/A LEU 731.A N LEU 727.A O no hydrogen 2.940 N/A LEU 731.A N TYR 728.A O no hydrogen 3.230 N/A TYR 732.A N TYR 728.A O no hydrogen 2.965 N/A TYR 732.A OH ASP 465.A OD2 no hydrogen 2.946 N/A ARG 733.A N GLU 729.A O no hydrogen 2.997 N/A ASN 734.A ND2 ASP 736.A O no hydrogen 3.567 N/A ARG 735.A NH1 ASP 291.A O no hydrogen 3.365 N/A ARG 735.A NH2 ASP 291.A OD1 no hydrogen 3.491 N/A VAL 742.A N ASP 738.A O no hydrogen 3.213 N/A ASN 743.A N THR 739.A O no hydrogen 2.925 N/A GLU 744.A N ASP 740.A O no hydrogen 2.937 N/A PHE 745.A N PHE 741.A O no hydrogen 2.877 N/A TYR 746.A N VAL 742.A O no hydrogen 2.913 N/A ALA 747.A N ASN 743.A O no hydrogen 2.925 N/A TYR 748.A N GLU 744.A O no hydrogen 2.935 N/A TYR 748.A OH LEU 775.A O no hydrogen 3.104 N/A LEU 749.A N PHE 745.A O no hydrogen 2.891 N/A ARG 750.A N TYR 746.A O no hydrogen 2.929 N/A LYS 751.A N ALA 747.A O no hydrogen 2.924 N/A HIS 752.A N TYR 748.A O no hydrogen 2.962 N/A PHE 753.A N LEU 749.A O no hydrogen 2.679 N/A SER 754.A N CYS 765.A O no hydrogen 3.073 N/A SER 754.A OG VAL 605.A O no hydrogen 3.382 N/A MET 756.A N VAL 763.A O no hydrogen 3.045 N/A ILE 757.A N THR 586.A O no hydrogen 3.040 N/A LEU 758.A N ASP 761.A O no hydrogen 2.819 N/A SER 759.A OG SER 759.A O no hydrogen 2.246 N/A ASP 761.A N LEU 758.A O no hydrogen 3.176 N/A VAL 763.A N MET 756.A O no hydrogen 3.145 N/A VAL 764.A N MET 615.A O no hydrogen 3.207 N/A CYS 765.A N SER 754.A O no hydrogen 3.036 N/A CYS 765.A SG HIS 613.A O no hydrogen 3.795 N/A PHE 766.A N HIS 613.A O no hydrogen 3.235 N/A ASN 767.A N HIS 752.A O no hydrogen 3.357 N/A ASN 767.A ND2 HIS 752.A ND1 no hydrogen 3.589 N/A SER 768.A N ASN 611.A O no hydrogen 2.952 N/A THR 769.A N ASN 767.A OD1 no hydrogen 3.281 N/A ALA 771.A N ASN 767.A O no hydrogen 3.411 N/A SER 772.A N SER 768.A O no hydrogen 2.917 N/A SER 772.A OG THR 769.A O no hydrogen 3.020 N/A GLN 773.A N THR 769.A O no hydrogen 2.920 N/A GLY 774.A N ALA 771.A O no hydrogen 3.256 N/A LEU 775.A N TYR 770.A O no hydrogen 2.831 N/A ALA 777.A N ASN 703.A OD1 no hydrogen 3.274 N/A SER 778.A N ASN 781.A OD1 no hydrogen 3.053 N/A PHE 782.A N SER 778.A O no hydrogen 3.288 N/A LYS 783.A N ILE 779.A O no hydrogen 2.916 N/A LYS 783.A NZ GLU 136.A OE1 no hydrogen 2.860 N/A SER 784.A N LYS 780.A O no hydrogen 2.930 N/A SER 784.A OG PHE 134.A O no hydrogen 3.090 N/A SER 784.A OG LYS 780.A O no hydrogen 3.186 N/A VAL 785.A N ASN 781.A O no hydrogen 2.917 N/A LEU 786.A N PHE 782.A O no hydrogen 2.905 N/A TYR 787.A N LYS 783.A O no hydrogen 2.913 N/A TYR 787.A OH TYR 163.A O no hydrogen 3.099 N/A TYR 787.A OH TYR 175.A OH no hydrogen 3.145 N/A TYR 788.A N SER 784.A O no hydrogen 2.988 N/A GLN 789.A N VAL 785.A O no hydrogen 2.893 N/A ASN 790.A N LEU 786.A O no hydrogen 2.887 N/A ASN 790.A ND2 ASN 790.A O no hydrogen 2.566 N/A ASN 791.A ND2 THR 462.A OG1 no hydrogen 2.802 N/A CYS 799.A SG SER 795.A O no hydrogen 3.960 N/A TRP 800.A N GLY 616.A O no hydrogen 3.404 N/A GLU 802.A N LEU 614.A O no hydrogen 3.016 N/A THR 806.A N ASP 804.A OD1 no hydrogen 3.353 N/A THR 806.A OG1 ASP 804.A OD1 no hydrogen 3.441 N/A THR 806.A OG1 ASP 804.A OD2 no hydrogen 3.257 N/A PHE 812.A N GLN 815.A O no hydrogen 3.233 N/A SER 814.A N GLU 811.A OE1 no hydrogen 3.037 N/A GLN 815.A N PHE 812.A O no hydrogen 3.164 N/A GLN 815.A NE2 CYS 813.A O no hydrogen 3.322 N/A HIS 816.A N TYR 831.A O no hydrogen 3.183 N/A MET 818.A N LEU 829.A O no hydrogen 3.173 N/A VAL 820.A N VAL 827.A O no hydrogen 3.075 N/A GLN 822.A N ASP 825.A O no hydrogen 3.166 N/A GLN 822.A NE2 TYR 925.A O no hydrogen 3.526 N/A VAL 827.A N VAL 820.A O no hydrogen 2.998 N/A TYR 828.A OH LEU 805.A O no hydrogen 3.241 N/A LEU 829.A N MET 818.A O no hydrogen 3.056 N/A TYR 831.A N HIS 816.A O no hydrogen 3.213 N/A SER 835.A OG HIS 439.A ND1 no hydrogen 2.892 N/A ARG 836.A N ASP 833.A O no hydrogen 3.077 N/A ARG 836.A NH1 ARG 836.A O no hydrogen 3.433 N/A ILE 837.A N ASP 833.A O no hydrogen 3.473 N/A LEU 838.A N PRO 834.A O no hydrogen 2.959 N/A GLY 839.A N SER 835.A O no hydrogen 2.859 N/A ALA 840.A N ARG 836.A O no hydrogen 2.934 N/A GLY 841.A N ILE 837.A O no hydrogen 2.943 N/A CYS 842.A N LEU 838.A O no hydrogen 2.920 N/A CYS 842.A SG LEU 838.A O no hydrogen 3.109 N/A PHE 843.A N GLY 839.A O no hydrogen 2.938 N/A VAL 844.A N ASN 414.A O no hydrogen 3.032 N/A ILE 847.A N ASP 846.A OD1 no hydrogen 2.613 N/A THR 850.A OG1 LYS 849.A O no hydrogen 2.245 N/A LEU 854.A N ASP 851.A O no hydrogen 3.325 N/A MET 855.A N GLY 852.A O no hydrogen 3.047 N/A GLU 857.A N GLU 857.A OE1 no hydrogen 2.878 N/A VAL 860.A N ILE 856.A O no hydrogen 3.385 N/A SER 861.A N GLU 857.A O no hydrogen 3.425 N/A SER 861.A OG GLU 857.A O no hydrogen 3.146 N/A LEU 862.A N ARG 858.A O no hydrogen 2.950 N/A ALA 863.A N PHE 859.A O no hydrogen 2.865 N/A ILE 864.A N VAL 860.A O no hydrogen 2.912 N/A ASP 865.A N SER 861.A O no hydrogen 2.956 N/A ALA 866.A N ALA 863.A O no hydrogen 3.302 N/A THR 870.A N TYR 867.A O no hydrogen 3.207 N/A ASN 874.A N HIS 872.A ND1 no hydrogen 3.070 N/A GLN 875.A N ASN 874.A OD1 no hydrogen 2.787 N/A GLU 876.A N GLU 876.A OE1 no hydrogen 2.700 N/A ASP 879.A N GLN 875.A O no hydrogen 3.392 N/A VAL 880.A N GLU 876.A O no hydrogen 2.991 N/A HIS 882.A N ALA 878.A O no hydrogen 3.022 N/A LEU 883.A N ASP 879.A O no hydrogen 2.860 N/A TYR 884.A N VAL 880.A O no hydrogen 2.986 N/A TYR 884.A OH ILE 837.A O no hydrogen 2.900 N/A LEU 885.A N PHE 881.A O no hydrogen 3.002 N/A GLN 886.A N HIS 882.A O no hydrogen 2.974 N/A TYR 887.A N LEU 883.A O no hydrogen 2.923 N/A ILE 888.A N TYR 884.A O no hydrogen 2.955 N/A ARG 889.A N LEU 885.A O no hydrogen 3.028 N/A LYS 890.A N GLN 886.A O no hydrogen 2.924 N/A LEU 891.A N TYR 887.A O no hydrogen 2.896 N/A HIS 892.A N ILE 888.A O no hydrogen 3.002 N/A ASP 893.A N ARG 889.A O no hydrogen 2.979 N/A GLU 894.A N LYS 890.A O no hydrogen 2.884 N/A LEU 895.A N LEU 891.A O no hydrogen 2.917 N/A THR 896.A N HIS 892.A O no hydrogen 3.005 N/A THR 896.A OG1 ASP 893.A O no hydrogen 3.089 N/A GLY 897.A N ASP 893.A O no hydrogen 2.999 N/A HIS 898.A N GLU 894.A O no hydrogen 2.822 N/A MET 899.A N LEU 895.A O no hydrogen 2.942 N/A MET 899.A N THR 896.A O no hydrogen 3.329 N/A LEU 900.A N THR 896.A O no hydrogen 2.921 N/A ASP 901.A N GLY 897.A O no hydrogen 2.950 N/A THR 912.A OG1 ASP 910.A O no hydrogen 3.215 N/A TYR 915.A N THR 912.A O no hydrogen 3.228 N/A TRP 916.A N SER 913.A O no hydrogen 3.344 N/A TYR 921.A N PRO 918.A O no hydrogen 3.284 N/A TYR 921.A OH TYR 915.A O no hydrogen 2.404 N/A GLU 922.A N PRO 918.A O no hydrogen 2.910 N/A MET 924.A N TYR 921.A O no hydrogen 3.395 N/A TYR 925.A N GLU 922.A O no hydrogen 3.516 N/A TYR 925.A OH ILE 864.A O no hydrogen 3.089 N/A THR 926.A OG1 GLU 922.A O no hydrogen 3.231 N/A