Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7shn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ARG 3.A O no hydrogen 3.416 N/A GLN 7.A N VAL 4.A O no hydrogen 2.849 N/A ARG 8.A N VAL 4.A O no hydrogen 2.850 N/A LEU 9.A N PHE 5.A O no hydrogen 2.904 N/A LEU 10.A N LEU 6.A O no hydrogen 3.267 N/A TRP 11.A N ARG 8.A O no hydrogen 2.797 N/A LEU 12.A N ARG 8.A O no hydrogen 3.167 N/A LEU 13.A N LEU 9.A O no hydrogen 3.122 N/A LEU 15.A N LEU 12.A O no hydrogen 2.737 N/A LEU 16.A N LEU 12.A O no hydrogen 3.041 N/A PHE 17.A N LEU 13.A O no hydrogen 3.240 N/A CYS 22.A SG ARG 19.A O no hydrogen 3.840 N/A THR 25.A OG1 VAL 20.A O no hydrogen 3.192 N/A LEU 28.A N GLU 24.A O no hydrogen 3.264 N/A ALA 29.A N THR 25.A O no hydrogen 2.588 N/A HIS 31.A N LEU 27.A O no hydrogen 3.072 N/A SER 32.A N LEU 28.A O no hydrogen 2.991 N/A SER 32.A OG LEU 28.A O no hydrogen 2.661 N/A LEU 35.A N SER 32.A O no hydrogen 3.330 N/A VAL 36.A N SER 32.A O no hydrogen 3.182 N/A SER 37.A OG ALA 33.A O no hydrogen 2.684 N/A ARG 38.A NH1 ASN 82.A OD1 no hydrogen 3.164 N/A ARG 38.A NH2 ASP 155.A OD1 no hydrogen 3.156 N/A THR 39.A OG1 VAL 36.A O no hydrogen 3.466 N/A PHE 40.A N VAL 36.A O no hydrogen 3.124 N/A SER 42.A OG ARG 38.A O no hydrogen 2.718 N/A VAL 43.A N THR 39.A O no hydrogen 3.260 N/A VAL 45.A N LEU 41.A O no hydrogen 3.071 N/A ALA 46.A N SER 42.A O no hydrogen 3.432 N/A ARG 47.A N TYR 44.A O no hydrogen 3.140 N/A LEU 48.A N TYR 44.A O no hydrogen 2.967 N/A ASP 49.A N VAL 45.A O no hydrogen 2.771 N/A GLY 50.A N ALA 46.A O no hydrogen 3.204 N/A ARG 51.A N ARG 47.A O no hydrogen 3.169 N/A LEU 52.A N LEU 48.A O no hydrogen 2.903 N/A ALA 53.A N ASP 49.A O no hydrogen 3.253 N/A ARG 54.A N GLY 50.A O no hydrogen 3.317 N/A CYS 55.A N LEU 52.A O no hydrogen 3.098 N/A CYS 55.A SG ARG 51.A O no hydrogen 3.210 N/A CYS 55.A SG ALA 63.A O no hydrogen 3.883 N/A ILE 56.A N LEU 52.A O no hydrogen 2.945 N/A VAL 57.A N ALA 53.A O no hydrogen 3.309 N/A ARG 58.A N ARG 54.A O no hydrogen 2.955 N/A LYS 59.A N ILE 56.A O no hydrogen 3.230 N/A ASP 60.A N CYS 55.A O no hydrogen 2.947 N/A PHE 64.A N ASP 60.A O no hydrogen 2.957 N/A GLY 65.A N PRO 61.A O no hydrogen 3.321 N/A TRP 66.A N ARG 62.A O no hydrogen 3.180 N/A GLN 67.A N ALA 63.A O no hydrogen 3.224 N/A LEU 68.A N PHE 64.A O no hydrogen 3.081 N/A LEU 69.A N GLY 65.A O no hydrogen 3.095 N/A GLN 70.A N TRP 66.A O no hydrogen 3.300 N/A LEU 72.A N LEU 68.A O no hydrogen 3.173 N/A LEU 73.A N LEU 69.A O no hydrogen 3.077 N/A ILE 74.A N GLN 70.A O no hydrogen 3.296 N/A ALA 75.A N TRP 71.A O no hydrogen 3.231 N/A LEU 76.A N LEU 73.A O no hydrogen 3.455 N/A ALA 78.A N ILE 74.A O no hydrogen 3.106 N/A THR 79.A N ALA 75.A O no hydrogen 3.214 N/A THR 79.A OG1 ALA 75.A O no hydrogen 2.710 N/A THR 79.A OG1 LEU 76.A O no hydrogen 3.167 N/A PHE 80.A N LEU 76.A O no hydrogen 3.274 N/A VAL 81.A N PRO 77.A O no hydrogen 3.093 N/A ASN 82.A N ALA 78.A O no hydrogen 3.400 N/A SER 83.A N THR 79.A O no hydrogen 3.100 N/A SER 83.A OG THR 79.A O no hydrogen 3.509 N/A SER 83.A OG PHE 80.A O no hydrogen 3.237 N/A ALA 84.A N PHE 80.A O no hydrogen 2.812 N/A TYR 87.A N SER 83.A O no hydrogen 3.106 N/A LEU 88.A N ALA 84.A O no hydrogen 3.447 N/A GLU 89.A N ILE 85.A O no hydrogen 2.757 N/A GLY 90.A N ARG 86.A O no hydrogen 3.098 N/A GLN 91.A N TYR 87.A O no hydrogen 2.701 N/A LEU 92.A N GLU 89.A O no hydrogen 3.274 N/A ALA 93.A N GLU 89.A O no hydrogen 2.936 N/A SER 95.A N GLN 91.A O no hydrogen 3.215 N/A SER 95.A OG GLN 91.A O no hydrogen 2.736 N/A PHE 96.A N LEU 92.A O no hydrogen 2.624 N/A SER 98.A N LEU 94.A O no hydrogen 2.903 N/A SER 98.A OG LEU 94.A O no hydrogen 2.634 N/A ARG 99.A NE GLU 24.A OE2 no hydrogen 2.646 N/A ARG 99.A NH1 GLU 24.A OE2 no hydrogen 2.691 N/A LEU 100.A N PHE 96.A O no hydrogen 3.103 N/A VAL 101.A N ARG 97.A O no hydrogen 2.859 N/A ALA 102.A N SER 98.A O no hydrogen 3.350 N/A HIS 103.A N LEU 100.A O no hydrogen 3.002 N/A ALA 104.A N LEU 100.A O no hydrogen 2.651 N/A TYR 105.A N VAL 101.A O no hydrogen 2.936 N/A ARG 106.A NH1 HIS 103.A ND1 no hydrogen 3.097 N/A LEU 107.A N HIS 103.A O no hydrogen 3.295 N/A LEU 107.A N ALA 104.A O no hydrogen 3.177 N/A TYR 108.A N ALA 104.A O no hydrogen 2.768 N/A SER 110.A N LEU 107.A O no hydrogen 3.469 N/A SER 110.A OG LEU 107.A O no hydrogen 2.873 N/A SER 110.A OG GLN 355.A OE1 no hydrogen 3.244 N/A THR 113.A OG1 LEU 107.A O no hydrogen 2.504 N/A TYR 115.A N GLN 112.A O no hydrogen 3.047 N/A ARG 116.A N GLN 112.A O no hydrogen 2.838 N/A ARG 116.A NH1 VAL 354.A O no hydrogen 3.397 N/A ASN 119.A N TYR 115.A O no hydrogen 2.761 N/A GLY 122.A N VAL 117.A O no hydrogen 3.392 N/A ARG 123.A N ASP 121.A OD2 no hydrogen 2.927 N/A ARG 123.A NE ASP 121.A OD1 no hydrogen 3.284 N/A ARG 123.A NH1 ASP 121.A OD1 no hydrogen 3.137 N/A ARG 123.A NH2 ASP 353.A OD1 no hydrogen 2.380 N/A ARG 125.A NH1 GLY 122.A O no hydrogen 2.396 N/A ARG 125.A NH2 GLY 122.A O no hydrogen 3.141 N/A GLN 129.A N ASN 126.A O no hydrogen 3.432 N/A SER 130.A N PRO 127.A O no hydrogen 2.762 N/A LEU 131.A N PRO 127.A O no hydrogen 3.010 N/A THR 132.A OG1 ASP 128.A O no hydrogen 3.353 N/A GLU 133.A N GLN 129.A O no hydrogen 3.003 N/A ASP 134.A N GLN 129.A O no hydrogen 2.905 N/A PHE 138.A N ASP 134.A O no hydrogen 3.129 N/A ALA 139.A N VAL 135.A O no hydrogen 3.178 N/A SER 141.A N PHE 138.A O no hydrogen 2.842 N/A VAL 142.A N PHE 138.A O no hydrogen 2.886 N/A ALA 143.A N ALA 139.A O no hydrogen 3.438 N/A LEU 145.A N SER 141.A O no hydrogen 3.109 N/A TYR 146.A N VAL 142.A O no hydrogen 3.018 N/A SER 147.A N ALA 143.A O no hydrogen 3.362 N/A SER 147.A OG GLU 89.A OE1 no hydrogen 3.140 N/A SER 147.A OG ASN 148.A OD1 no hydrogen 3.405 N/A ASN 148.A N HIS 144.A O no hydrogen 3.050 N/A THR 150.A N TYR 146.A O no hydrogen 3.222 N/A THR 150.A OG1 TYR 146.A O no hydrogen 2.605 N/A LYS 151.A N SER 147.A O no hydrogen 3.098 N/A LEU 153.A N LEU 149.A O no hydrogen 3.239 N/A LEU 154.A N THR 150.A O no hydrogen 3.241 N/A ASP 155.A N LYS 151.A O no hydrogen 3.167 N/A VAL 156.A N PRO 152.A O no hydrogen 3.079 N/A VAL 158.A N LEU 154.A O no hydrogen 3.323 N/A THR 159.A N ASP 155.A O no hydrogen 2.916 N/A THR 159.A OG1 ASP 155.A O no hydrogen 3.118 N/A SER 160.A OG VAL 156.A O no hydrogen 2.999 N/A TYR 161.A N ALA 157.A O no hydrogen 3.355 N/A THR 162.A N VAL 158.A O no hydrogen 3.039 N/A THR 162.A OG1 VAL 158.A O no hydrogen 2.524 N/A THR 162.A OG1 THR 159.A O no hydrogen 2.795 N/A LEU 163.A N THR 159.A O no hydrogen 2.753 N/A LEU 164.A N SER 160.A O no hydrogen 3.234 N/A ARG 165.A N TYR 161.A O no hydrogen 2.816 N/A ALA 166.A N THR 162.A O no hydrogen 3.005 N/A ALA 167.A N LEU 163.A O no hydrogen 2.972 N/A ARG 168.A N LEU 164.A O no hydrogen 3.146 N/A SER 169.A OG ALA 166.A O no hydrogen 2.855 N/A GLY 171.A N SER 169.A OG no hydrogen 3.312 N/A ALA 179.A N ALA 175.A O no hydrogen 2.969 N/A ALA 179.A N TRP 176.A O no hydrogen 3.263 N/A ILE 180.A N TRP 176.A O no hydrogen 3.298 N/A ALA 181.A N PRO 177.A O no hydrogen 3.360 N/A GLY 182.A N SER 178.A O no hydrogen 3.240 N/A LEU 183.A N ALA 179.A O no hydrogen 3.161 N/A LEU 183.A N ILE 180.A O no hydrogen 3.295 N/A VAL 184.A N ILE 180.A O no hydrogen 3.120 N/A PHE 186.A N GLY 182.A O no hydrogen 3.365 N/A LEU 187.A N LEU 183.A O no hydrogen 2.680 N/A THR 188.A OG1 VAL 184.A O no hydrogen 2.338 N/A ALA 189.A N PHE 186.A O no hydrogen 3.181 N/A ASN 190.A N PHE 186.A O no hydrogen 3.138 N/A ALA 194.A N VAL 191.A O no hydrogen 3.040 N/A LYS 198.A N PHE 195.A O no hydrogen 3.304 N/A LYS 198.A NZ GLU 257.A OE2 no hydrogen 2.414 N/A PHE 199.A N PHE 195.A O no hydrogen 3.294 N/A GLU 201.A N LYS 198.A O no hydrogen 3.158 N/A ALA 204.A N GLY 200.A O no hydrogen 3.329 N/A GLU 206.A N LEU 202.A O no hydrogen 3.033 N/A ALA 207.A N VAL 203.A O no hydrogen 2.855 N/A ARG 209.A N GLU 205.A O no hydrogen 2.724 N/A ARG 209.A NH1 ASP 246.A O no hydrogen 3.088 N/A LYS 210.A N GLU 206.A O no hydrogen 2.877 N/A GLU 212.A N ARG 208.A O no hydrogen 3.024 N/A LEU 213.A N LYS 210.A O no hydrogen 3.097 N/A ARG 214.A N LYS 210.A O no hydrogen 3.219 N/A TYR 215.A N GLY 211.A O no hydrogen 3.178 N/A HIS 217.A N LEU 213.A O no hydrogen 2.964 N/A SER 218.A N ARG 214.A O no hydrogen 2.865 N/A SER 218.A OG ARG 214.A O no hydrogen 3.093 N/A ARG 219.A NH1 GLU 236.A OE2 no hydrogen 3.277 N/A VAL 220.A N HIS 217.A O no hydrogen 2.969 N/A VAL 221.A N HIS 217.A O no hydrogen 2.991 N/A ASN 223.A N ARG 219.A O no hydrogen 3.405 N/A SER 224.A OG VAL 221.A O no hydrogen 3.175 N/A ILE 227.A N ASN 223.A O no hydrogen 2.943 N/A ALA 228.A N SER 224.A O no hydrogen 3.086 N/A PHE 229.A N GLU 225.A O no hydrogen 3.260 N/A TYR 230.A N ILE 227.A O no hydrogen 3.096 N/A GLY 232.A N ILE 227.A O no hydrogen 3.410 N/A GLU 236.A N GLY 232.A O no hydrogen 3.226 N/A LEU 237.A N HIS 233.A O no hydrogen 2.938 N/A ALA 238.A N GLU 234.A O no hydrogen 3.438 N/A LEU 239.A N VAL 235.A O no hydrogen 3.103 N/A LEU 240.A N LEU 237.A O no hydrogen 2.875 N/A GLN 241.A N LEU 237.A O no hydrogen 2.706 N/A ARG 242.A N ALA 238.A O no hydrogen 3.304 N/A TYR 244.A N LEU 240.A O no hydrogen 3.040 N/A TYR 244.A N GLN 241.A O no hydrogen 3.266 N/A GLN 245.A N GLN 241.A O no hydrogen 2.933 N/A ALA 248.A N TYR 244.A O no hydrogen 2.720 N/A SER 249.A N GLN 245.A O no hydrogen 3.190 N/A SER 249.A OG GLN 245.A O no hydrogen 2.863 N/A GLN 250.A N ASP 246.A O no hydrogen 3.261 N/A ILE 251.A N LEU 247.A O no hydrogen 2.911 N/A ASN 252.A N ALA 248.A O no hydrogen 3.019 N/A ILE 254.A N GLN 250.A O no hydrogen 3.066 N/A LEU 255.A N ASN 252.A O no hydrogen 2.949 N/A LEU 256.A N ASN 252.A O no hydrogen 3.044 N/A GLU 257.A N LEU 253.A O no hydrogen 3.323 N/A ARG 258.A N ILE 254.A O no hydrogen 3.200 N/A LEU 259.A N LEU 256.A O no hydrogen 3.243 N/A MET 263.A N LEU 259.A O no hydrogen 3.333 N/A LEU 264.A N TRP 260.A O no hydrogen 3.105 N/A GLU 265.A N TYR 261.A O no hydrogen 2.511 N/A GLN 266.A N VAL 262.A O no hydrogen 3.181 N/A PHE 267.A N MET 263.A O no hydrogen 2.804 N/A LEU 268.A N LEU 264.A O no hydrogen 3.306 N/A LYS 270.A N GLN 266.A O no hydrogen 3.136 N/A VAL 272.A N LEU 268.A O no hydrogen 3.270 N/A TRP 273.A N LEU 268.A O no hydrogen 2.827 N/A TRP 273.A NE1 THR 188.A OG1 no hydrogen 2.857 N/A ALA 275.A N TYR 271.A O no hydrogen 3.425 N/A SER 276.A N VAL 272.A O no hydrogen 3.026 N/A SER 276.A OG VAL 272.A O no hydrogen 2.691 N/A GLY 277.A N TRP 273.A O no hydrogen 3.205 N/A LEU 278.A N SER 274.A O no hydrogen 2.879 N/A LEU 279.A N ALA 275.A O no hydrogen 3.326 N/A VAL 281.A N LEU 278.A O no hydrogen 3.250 N/A ALA 282.A N LEU 278.A O no hydrogen 2.799 N/A ILE 285.A N ALA 282.A O no hydrogen 2.786 N/A ILE 286.A N ALA 282.A O no hydrogen 2.714 N/A THR 287.A N VAL 283.A O no hydrogen 3.121 N/A THR 287.A OG1 VAL 283.A O no hydrogen 2.382 N/A GLU 296.A N ALA 293.A O no hydrogen 3.047 N/A LYS 297.A NZ GLU 305.A OE2 no hydrogen 3.185 N/A LYS 298.A NZ GLU 300.A OE2 no hydrogen 3.263 N/A GLU 300.A N GLU 300.A OE1 no hydrogen 2.753 N/A LEU 302.A N LYS 298.A O no hydrogen 2.990 N/A VAL 303.A N GLU 299.A O no hydrogen 3.018 N/A SER 304.A OG GLU 301.A O no hydrogen 3.354 N/A GLU 305.A N LEU 302.A O no hydrogen 3.259 N/A THR 307.A OG1 VAL 303.A O no hydrogen 3.317 N/A ALA 309.A N GLU 305.A O no hydrogen 3.129 N/A PHE 310.A N ARG 306.A O no hydrogen 3.071 N/A THR 311.A N THR 307.A O no hydrogen 2.984 N/A THR 311.A OG1 THR 307.A O no hydrogen 2.422 N/A ILE 312.A N GLU 308.A O no hydrogen 2.925 N/A ALA 313.A N ALA 309.A O no hydrogen 3.091 N/A ASN 315.A N THR 311.A O no hydrogen 3.050 N/A ASN 315.A ND2 ALA 46.A O no hydrogen 3.659 N/A ASN 315.A ND2 ASP 49.A OD2 no hydrogen 2.420 N/A LEU 316.A N ILE 312.A O no hydrogen 2.967 N/A LEU 317.A N ALA 313.A O no hydrogen 3.379 N/A THR 318.A OG1 ARG 314.A O no hydrogen 2.551 N/A ALA 319.A N ASN 315.A O no hydrogen 3.088 N/A ALA 320.A N LEU 316.A O no hydrogen 2.886 N/A ALA 321.A N THR 318.A O no hydrogen 3.254 N/A ASP 322.A N THR 318.A O no hydrogen 2.995 N/A ARG 326.A N ALA 323.A O no hydrogen 2.892 N/A ILE 327.A N ALA 323.A O no hydrogen 2.808 N/A MET 328.A N ILE 324.A O no hydrogen 3.270 N/A SER 329.A N GLU 325.A O no hydrogen 3.380 N/A SER 329.A OG GLU 325.A O no hydrogen 3.013 N/A SER 330.A N ILE 327.A O no hydrogen 2.891 N/A TYR 331.A N ILE 327.A O no hydrogen 3.125 N/A VAL 334.A N TYR 331.A O no hydrogen 3.352 N/A THR 335.A OG1 LYS 332.A O no hydrogen 2.569 N/A LEU 337.A N GLU 333.A O no hydrogen 3.198 N/A ALA 338.A N VAL 334.A O no hydrogen 3.035 N/A GLY 339.A N THR 335.A O no hydrogen 3.348 N/A TYR 340.A N LEU 337.A O no hydrogen 3.330 N/A THR 341.A N LEU 337.A O no hydrogen 2.854 N/A THR 341.A OG1 LEU 337.A O no hydrogen 2.517 N/A ALA 342.A N ALA 338.A O no hydrogen 3.285 N/A ARG 343.A NE ASP 134.A OD1 no hydrogen 3.018 N/A VAL 344.A N TYR 340.A O no hydrogen 3.353 N/A HIS 345.A N THR 341.A O no hydrogen 3.109 N/A GLU 346.A N ALA 342.A O no hydrogen 3.008 N/A MET 347.A N ARG 343.A O no hydrogen 3.275 N/A PHE 348.A N VAL 344.A O no hydrogen 3.006 N/A GLN 349.A N GLU 346.A O no hydrogen 2.976 N/A VAL 350.A N GLU 346.A O no hydrogen 2.755 N/A PHE 351.A N MET 347.A O no hydrogen 3.081 N/A GLU 352.A N GLN 349.A O no hydrogen 3.169 N/A ASP 353.A N GLN 349.A O no hydrogen 2.811 N/A VAL 354.A N VAL 350.A O no hydrogen 3.085 N/A GLN 355.A NE2 GLN 111.A OE1 no hydrogen 3.243 N/A ARG 356.A N ASP 353.A O no hydrogen 3.161 N/A CYS 357.A N VAL 354.A O no hydrogen 2.941 N/A HIS 358.A N ASP 353.A O no hydrogen 2.887 N/A LYS 360.A NZ HIS 358.A ND1 no hydrogen 3.075 N/A VAL 367.A N LEU 430.A O no hydrogen 2.608 N/A VAL 369.A N LYS 432.A O no hydrogen 2.828 N/A GLU 370.A N GLU 370.A OE2 no hydrogen 2.634 N/A ILE 374.A N TYR 431.A O no hydrogen 2.665 N/A CYS 375.A N ILE 394.A O no hydrogen 2.662 N/A GLU 376.A N VAL 429.A O no hydrogen 3.110 N/A ILE 378.A N LEU 392.A O no hydrogen 2.751 N/A ILE 380.A N VAL 389.A O no hydrogen 3.102 N/A THR 382.A N GLU 386.A O no hydrogen 3.179 N/A GLY 385.A N THR 382.A O no hydrogen 2.960 N/A LEU 392.A N ILE 378.A O no hydrogen 2.751 N/A ILE 404.A N SER 555.A O no hydrogen 2.711 N/A LYS 412.A NZ PRO 407.A O no hydrogen 2.829 N/A PHE 416.A N SER 413.A O no hydrogen 3.091 N/A ARG 417.A NH2 SER 413.A O no hydrogen 2.967 N/A ARG 417.A NH2 ASP 528.A OD1 no hydrogen 3.310 N/A LEU 419.A N LEU 415.A O no hydrogen 2.919 N/A GLY 420.A N PHE 416.A O no hydrogen 2.798 N/A GLY 421.A N ILE 418.A O no hydrogen 3.350 N/A LEU 422.A N ARG 417.A O no hydrogen 2.803 N/A TRP 423.A N ARG 417.A O no hydrogen 2.864 N/A THR 425.A OG1 GLY 427.A O no hydrogen 3.232 N/A LEU 430.A N GLN 365.A O no hydrogen 3.115 N/A TYR 431.A N ILE 374.A O no hydrogen 2.708 N/A LYS 432.A N VAL 367.A O no hydrogen 3.032 N/A LYS 432.A NZ ILE 418.A O no hydrogen 3.319 N/A LYS 432.A NZ LEU 419.A O no hydrogen 3.206 N/A GLN 436.A N GLN 436.A OE1 no hydrogen 2.950 N/A ARG 437.A N PRO 434.A O no hydrogen 2.853 N/A MET 438.A N PRO 435.A O no hydrogen 3.255 N/A PHE 439.A N TYR 524.A O no hydrogen 2.874 N/A ILE 441.A N LEU 526.A O no hydrogen 2.632 N/A GLN 443.A NE2 SER 532.A OG no hydrogen 2.827 N/A SER 451.A OG TRP 494.A O no hydrogen 3.494 N/A ARG 453.A N TRP 494.A O no hydrogen 3.429 N/A ASP 454.A N SER 451.A OG no hydrogen 2.597 N/A VAL 456.A N ARG 453.A O no hydrogen 3.421 N/A ASP 460.A N ILE 457.A O no hydrogen 3.094 N/A MET 465.A N VAL 462.A O no hydrogen 3.132 N/A ARG 467.A N ASP 464.A O no hydrogen 3.186 N/A LYS 468.A N ASP 464.A O no hydrogen 3.406 N/A LYS 468.A NZ ASP 460.A OD2 no hydrogen 3.136 N/A LYS 468.A NZ TYR 519.A OH no hydrogen 3.136 N/A GLY 469.A N GLN 466.A O no hydrogen 3.213 N/A SER 471.A N ASP 474.A OD1 no hydrogen 2.552 N/A SER 471.A OG ASP 474.A OD1 no hydrogen 2.957 N/A GLU 472.A N GLU 472.A OE1 no hydrogen 2.664 N/A GLN 473.A N SER 471.A OG no hydrogen 3.282 N/A GLU 476.A N GLU 472.A O no hydrogen 3.189 N/A ALA 477.A N GLN 473.A O no hydrogen 3.482 N/A ILE 478.A N ASP 474.A O no hydrogen 2.982 N/A LEU 479.A N LEU 475.A O no hydrogen 2.742 N/A VAL 481.A N ALA 477.A O no hydrogen 3.262 N/A HIS 483.A N ASP 480.A O no hydrogen 3.065 N/A HIS 483.A ND1 ASP 480.A O no hydrogen 2.486 N/A LEU 484.A N LEU 479.A O no hydrogen 3.019 N/A GLN 489.A N HIS 486.A O no hydrogen 3.255 N/A GLN 489.A NE2 HIS 485.A O no hydrogen 3.427 N/A ARG 490.A N ILE 487.A O no hydrogen 3.269 N/A ARG 490.A NH1 VAL 503.A O no hydrogen 3.200 N/A ARG 490.A NH2 VAL 503.A O no hydrogen 2.821 N/A TRP 500.A NE1 GLY 450.A O no hydrogen 2.677 N/A ASP 502.A N ASP 499.A O no hydrogen 2.919 N/A VAL 503.A N ASP 499.A O no hydrogen 3.267 N/A SER 505.A N GLU 508.A OE2 no hydrogen 2.905 N/A SER 505.A OG GLU 508.A OE2 no hydrogen 2.593 N/A GLU 508.A N SER 505.A OG no hydrogen 3.301 N/A LYS 509.A N SER 505.A O no hydrogen 2.783 N/A LYS 509.A NZ LYS 501.A O no hydrogen 3.341 N/A GLN 510.A N GLY 506.A O no hydrogen 3.366 N/A GLN 510.A NE2 GLN 443.A O no hydrogen 2.591 N/A GLN 510.A NE2 SER 532.A OG no hydrogen 3.333 N/A ARG 511.A N GLY 507.A O no hydrogen 3.272 N/A ARG 511.A N GLU 508.A O no hydrogen 3.265 N/A ILE 512.A N GLU 508.A O no hydrogen 3.083 N/A GLY 513.A N LYS 509.A O no hydrogen 3.113 N/A MET 514.A N GLN 510.A O no hydrogen 3.113 N/A ALA 515.A N ARG 511.A O no hydrogen 3.020 N/A ARG 516.A N ILE 512.A O no hydrogen 2.584 N/A ARG 516.A NE GLN 455.A O no hydrogen 3.413 N/A ARG 516.A NH1 TYR 446.A O no hydrogen 2.702 N/A ARG 516.A NH2 TYR 446.A O no hydrogen 2.623 N/A MET 517.A N GLY 513.A O no hydrogen 3.216 N/A TYR 519.A OH ASP 460.A OD1 no hydrogen 3.063 N/A TYR 519.A OH ASP 460.A OD2 no hydrogen 3.306 N/A LYS 523.A N ARG 437.A O no hydrogen 2.611 N/A TYR 524.A N ARG 437.A O no hydrogen 3.336 N/A TYR 524.A OH GLU 397.A O no hydrogen 3.344 N/A LEU 526.A N PHE 439.A O no hydrogen 2.480 N/A LEU 527.A N LEU 554.A O no hydrogen 3.255 N/A ASP 528.A N ILE 441.A O no hydrogen 3.023 N/A GLN 529.A N LEU 527.A O no hydrogen 3.038 N/A ALA 533.A N GLN 510.A OE1 no hydrogen 3.314 N/A GLU 539.A N SER 535.A O no hydrogen 3.352 N/A GLY 540.A N ILE 536.A O no hydrogen 3.119 N/A LYS 541.A NZ ASP 537.A O no hydrogen 3.043 N/A PHE 543.A N GLU 539.A O no hydrogen 3.342 N/A ALA 545.A N LYS 541.A O no hydrogen 3.040 N/A ALA 546.A N ILE 542.A O no hydrogen 2.547 N/A LYS 547.A N PHE 543.A O no hydrogen 3.271 N/A LYS 547.A NZ TYR 565.A O no hydrogen 3.196 N/A ASP 548.A N GLN 544.A O no hydrogen 2.835 N/A ALA 549.A N ALA 545.A O no hydrogen 2.776 N/A GLY 550.A N ALA 546.A O no hydrogen 2.714 N/A ILE 551.A N ALA 546.A O no hydrogen 3.325 N/A LEU 554.A N ALA 525.A O no hydrogen 2.986 N/A SER 555.A OG HIS 566.A NE2 no hydrogen 2.872 N/A ILE 556.A N LEU 527.A O no hydrogen 2.871 N/A SER 561.A N ARG 559.A O no hydrogen 2.856 N/A LYS 564.A NZ SER 561.A O no hydrogen 2.936 N/A TYR 565.A N LEU 562.A O no hydrogen 3.260 N/A THR 567.A OG1 LEU 583.A O no hydrogen 3.512 N/A THR 567.A OG1 ASP 584.A OD1 no hydrogen 3.136 N/A LEU 570.A N LEU 403.A O no hydrogen 2.733 N/A GLY 576.A N VAL 388.A O no hydrogen 2.628 N/A LYS 582.A NZ THR 567.A OG1 no hydrogen 3.182 N/A UNK 591.A N UNK 587.A O no hydrogen 2.751 N/A UNK 592.A N UNK 589.A O no hydrogen 3.228 N/A UNK 594.A N UNK 590.A O no hydrogen 2.817 N/A UNK 596.A N UNK 593.A O no hydrogen 3.494 N/A UNK 597.A N UNK 593.A O no hydrogen 3.064 N/A UNK 600.A N UNK 596.A O no hydrogen 3.262 N/A UNK 601.A N UNK 597.A O no hydrogen 3.159 N/A UNK 604.A N UNK 600.A O no hydrogen 3.073 N/A