Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6yac_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ALA 12.A O no hydrogen 2.928 N/A GLN 9.A N ASP 34.A OD2 no hydrogen 2.581 N/A LEU 11.A N SER 8.A OG no hydrogen 3.429 N/A GLN 13.A N GLN 9.A O no hydrogen 3.369 N/A GLN 13.A NE2 GLN 9.A OE1 no hydrogen 2.356 N/A ASP 14.A N LEU 11.A O no hydrogen 3.013 N/A THR 16.A N ASP 14.A OD2 no hydrogen 2.998 N/A THR 16.A OG1 ASP 14.A OD2 no hydrogen 2.908 N/A THR 17.A N LYS 695.A O no hydrogen 3.187 N/A ARG 18.A N THR 16.A OG1 no hydrogen 3.310 N/A ARG 18.A NH1 ASP 14.A OD1 no hydrogen 3.148 N/A ARG 19.A N THR 16.A O no hydrogen 3.287 N/A ARG 19.A NH1 PHE 4.A O no hydrogen 2.717 N/A ARG 19.A NH2 ASP 694.A OD2 no hydrogen 3.177 N/A ILE 20.A N THR 17.A O no hydrogen 2.969 N/A PHE 22.A N ARG 18.A O no hydrogen 3.019 N/A GLY 23.A N ARG 19.A O no hydrogen 3.085 N/A ILE 24.A N ILE 20.A O no hydrogen 3.270 N/A ILE 24.A N TRP 21.A O no hydrogen 2.951 N/A ALA 25.A N TRP 21.A O no hydrogen 3.323 N/A THR 26.A OG1 PHE 22.A O no hydrogen 2.548 N/A ASP 29.A N THR 26.A O no hydrogen 3.411 N/A SER 32.A N ASP 29.A O no hydrogen 3.051 N/A SER 32.A OG ASP 29.A OD2 no hydrogen 3.491 N/A HIS 33.A N PHE 30.A O no hydrogen 3.302 N/A HIS 33.A NE2 THR 26.A O no hydrogen 2.975 N/A ASP 34.A N PHE 7.A O no hydrogen 2.798 N/A LEU 41.A N THR 37.A O no hydrogen 3.474 N/A TYR 42.A N GLU 38.A O no hydrogen 2.982 N/A GLN 43.A N GLY 39.A O no hydrogen 2.893 N/A GLN 43.A NE2 PRO 162.A O no hydrogen 3.339 N/A ASN 44.A N ARG 40.A O no hydrogen 2.906 N/A ILE 45.A N LEU 41.A O no hydrogen 3.025 N/A PHE 46.A N TYR 42.A O no hydrogen 2.971 N/A ALA 47.A N GLN 43.A O no hydrogen 3.050 N/A SER 48.A N ASN 44.A O no hydrogen 2.922 N/A SER 48.A OG ASN 44.A O no hydrogen 3.465 N/A HIS 49.A N ILE 45.A O no hydrogen 2.926 N/A PHE 50.A N PHE 46.A O no hydrogen 3.131 N/A GLY 51.A N ALA 47.A O no hydrogen 3.002 N/A GLN 52.A N SER 48.A O no hydrogen 3.005 N/A GLN 52.A NE2 GLN 52.A O no hydrogen 3.378 N/A LEU 53.A N HIS 49.A O no hydrogen 3.003 N/A ALA 54.A N PHE 50.A O no hydrogen 3.058 N/A ILE 55.A N GLY 51.A O no hydrogen 3.001 N/A ILE 56.A N GLN 52.A O no hydrogen 3.014 N/A PHE 57.A N LEU 53.A O no hydrogen 3.087 N/A LEU 58.A N ALA 54.A O no hydrogen 2.985 N/A TRP 59.A N ILE 55.A O no hydrogen 2.997 N/A THR 60.A N ILE 56.A O no hydrogen 3.088 N/A SER 61.A N PHE 57.A O no hydrogen 2.914 N/A GLY 62.A N LEU 58.A O no hydrogen 2.934 N/A ASN 63.A N TRP 59.A O no hydrogen 3.112 N/A LEU 64.A N THR 60.A O no hydrogen 3.077 N/A PHE 65.A N SER 61.A O no hydrogen 2.956 N/A HIS 66.A N GLY 62.A O no hydrogen 2.926 N/A VAL 67.A N ASN 63.A O no hydrogen 3.082 N/A ALA 68.A N LEU 64.A O no hydrogen 3.008 N/A TRP 69.A N PHE 65.A O no hydrogen 2.902 N/A GLN 70.A N HIS 66.A O no hydrogen 2.926 N/A ASN 72.A N TYR 120.A OH no hydrogen 3.224 N/A ASN 72.A ND2 ARG 84.A O no hydrogen 2.501 N/A ASN 72.A ND2 GLY 106.A O no hydrogen 3.544 N/A TRP 76.A N ASN 72.A O no hydrogen 3.090 N/A VAL 77.A N PHE 73.A O no hydrogen 2.936 N/A GLN 78.A N ALA 75.A O no hydrogen 3.309 N/A ASP 79.A N TRP 76.A O no hydrogen 3.259 N/A HIS 82.A N ASP 79.A O no hydrogen 3.113 N/A ALA 87.A N ASN 113.A O no hydrogen 2.811 N/A HIS 88.A ND1 ALA 89.A O no hydrogen 2.926 N/A ALA 89.A N GLN 70.A OE1 no hydrogen 2.578 N/A ILE 90.A N PRO 111.A O no hydrogen 2.836 N/A HIS 94.A N ASP 92.A OD1 no hydrogen 2.882 N/A HIS 94.A ND1 ASP 92.A OD1 no hydrogen 2.275 N/A PHE 95.A N ASP 92.A O no hydrogen 3.107 N/A GLN 97.A NE2 GLU 101.A OE2 no hydrogen 3.356 N/A VAL 100.A N GLY 96.A O no hydrogen 3.129 N/A GLU 101.A N GLN 97.A O no hydrogen 2.974 N/A ALA 102.A N PRO 98.A O no hydrogen 2.854 N/A PHE 103.A N ALA 99.A O no hydrogen 3.011 N/A THR 104.A N GLU 101.A O no hydrogen 3.508 N/A THR 104.A OG1 VAL 100.A O no hydrogen 2.873 N/A ARG 105.A NH1 PHE 103.A O no hydrogen 2.521 N/A ARG 105.A NH1 VAL 112.A O no hydrogen 2.945 N/A ALA 108.A N ARG 105.A O no hydrogen 3.153 N/A VAL 112.A N PHE 103.A O no hydrogen 3.248 N/A ASN 113.A N HIS 88.A O no hydrogen 3.030 N/A ALA 115.A N PRO 85.A O no hydrogen 2.957 N/A TYR 120.A OH ILE 86.A O no hydrogen 2.537 N/A GLN 121.A N GLN 121.A OE1 no hydrogen 3.084 N/A GLN 121.A NE2 PHE 359.A O no hydrogen 3.251 N/A TRP 122.A N GLY 118.A O no hydrogen 3.255 N/A TRP 123.A N VAL 119.A O no hydrogen 2.862 N/A TYR 124.A N TYR 120.A O no hydrogen 2.861 N/A THR 125.A N GLN 121.A O no hydrogen 2.907 N/A THR 125.A OG1 GLN 121.A O no hydrogen 2.342 N/A ILE 126.A N TRP 122.A O no hydrogen 3.197 N/A GLY 127.A N TRP 123.A O no hydrogen 3.116 N/A LEU 128.A N TRP 123.A O no hydrogen 3.125 N/A ARG 129.A N ASP 133.A OD2 no hydrogen 3.289 N/A ARG 129.A NH1 TYR 124.A O no hydrogen 2.873 N/A ARG 129.A NH2 GLY 200.A O no hydrogen 2.797 N/A THR 130.A OG1 GLU 74.A OE2 no hydrogen 3.262 N/A ASP 133.A N THR 130.A O no hydrogen 3.012 N/A TYR 135.A N ASN 131.A O no hydrogen 2.975 N/A THR 136.A N GLU 132.A O no hydrogen 2.861 N/A THR 136.A OG1 GLU 132.A O no hydrogen 2.328 N/A GLY 137.A N ASP 133.A O no hydrogen 2.942 N/A ALA 138.A N LEU 134.A O no hydrogen 2.952 N/A ILE 139.A N TYR 135.A O no hydrogen 3.009 N/A PHE 140.A N THR 136.A O no hydrogen 3.017 N/A LEU 141.A N GLY 137.A O no hydrogen 2.923 N/A LEU 142.A N ALA 138.A O no hydrogen 2.946 N/A PHE 143.A N ILE 139.A O no hydrogen 2.984 N/A LEU 144.A N PHE 140.A O no hydrogen 2.974 N/A SER 145.A N LEU 141.A O no hydrogen 2.899 N/A SER 145.A OG ALA 54.A O no hydrogen 2.897 N/A PHE 146.A N LEU 142.A O no hydrogen 3.030 N/A ILE 147.A N PHE 143.A O no hydrogen 2.956 N/A SER 148.A N LEU 144.A O no hydrogen 2.925 N/A LEU 149.A N SER 145.A O no hydrogen 3.004 N/A LEU 150.A N PHE 146.A O no hydrogen 2.932 N/A ALA 151.A N ILE 147.A O no hydrogen 2.977 N/A GLY 152.A N SER 148.A O no hydrogen 2.986 N/A TRP 153.A N LEU 149.A O no hydrogen 2.966 N/A LEU 154.A N LEU 150.A O no hydrogen 2.870 N/A HIS 155.A N ALA 151.A O no hydrogen 3.008 N/A HIS 155.A ND1 TRP 160.A O no hydrogen 2.739 N/A LEU 156.A N TRP 153.A O no hydrogen 3.126 N/A TRP 166.A N SER 163.A O no hydrogen 3.050 N/A PHE 167.A N SER 163.A O no hydrogen 3.426 N/A LYS 168.A NZ GLU 38.A OE2 no hydrogen 3.435 N/A LYS 168.A NZ ASN 327.A OD1 no hydrogen 2.715 N/A ASN 169.A N TRP 166.A O no hydrogen 3.369 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.735 N/A SER 172.A N ASN 169.A OD1 no hydrogen 3.441 N/A ARG 173.A N ASN 169.A O no hydrogen 3.494 N/A LEU 174.A N ALA 170.A O no hydrogen 2.952 N/A ASN 175.A N GLU 171.A O no hydrogen 2.984 N/A ASN 175.A ND2 TYR 290.A O no hydrogen 3.286 N/A HIS 176.A N SER 172.A O no hydrogen 3.068 N/A HIS 176.A ND1 SER 172.A O no hydrogen 2.571 N/A HIS 177.A N ARG 173.A O no hydrogen 2.825 N/A LEU 178.A N LEU 174.A O no hydrogen 2.917 N/A SER 179.A N ASN 175.A O no hydrogen 3.036 N/A SER 179.A OG ASN 175.A O no hydrogen 3.393 N/A GLY 180.A N HIS 176.A O no hydrogen 2.699 N/A LEU 181.A N HIS 176.A O no hydrogen 3.095 N/A PHE 182.A N HIS 177.A O no hydrogen 3.096 N/A SER 185.A OG LEU 181.A O no hydrogen 2.806 N/A SER 186.A N PHE 182.A O no hydrogen 3.446 N/A SER 186.A OG HIS 276.A O no hydrogen 3.085 N/A LEU 187.A N GLY 183.A O no hydrogen 2.953 N/A ALA 188.A N VAL 184.A O no hydrogen 2.936 N/A TRP 189.A N SER 185.A O no hydrogen 2.899 N/A ALA 190.A N SER 186.A O no hydrogen 2.932 N/A GLY 191.A N LEU 187.A O no hydrogen 2.961 N/A HIS 192.A N ALA 188.A O no hydrogen 2.951 N/A HIS 192.A NE2 ILE 126.A O no hydrogen 3.007 N/A LEU 193.A N TRP 189.A O no hydrogen 2.978 N/A VAL 194.A N ALA 190.A O no hydrogen 2.922 N/A HIS 195.A N GLY 191.A O no hydrogen 2.915 N/A VAL 196.A N HIS 192.A O no hydrogen 2.943 N/A ILE 198.A N LEU 193.A O no hydrogen 2.998 N/A GLY 200.A N VAL 196.A O no hydrogen 2.856 N/A SER 201.A N ALA 197.A O no hydrogen 2.956 N/A SER 201.A OG ALA 197.A O no hydrogen 3.353 N/A SER 201.A OG ILE 198.A O no hydrogen 3.189 N/A ARG 202.A N PRO 199.A O no hydrogen 2.773 N/A ARG 202.A NE ASP 237.A OD1 no hydrogen 3.072 N/A ARG 202.A NH1 ALA 252.A O no hydrogen 3.018 N/A ARG 202.A NH2 ASP 237.A OD1 no hydrogen 2.464 N/A ARG 202.A NH2 ALA 252.A O no hydrogen 3.102 N/A ARG 207.A N ASN 210.A OD1 no hydrogen 2.760 N/A ARG 207.A NE ASP 133.A OD1 no hydrogen 3.369 N/A ARG 207.A NE ASP 133.A OD2 no hydrogen 3.268 N/A ARG 207.A NH1 VAL 206.A O no hydrogen 2.827 N/A ARG 207.A NH2 ASP 133.A OD2 no hydrogen 2.749 N/A ASN 210.A N ARG 207.A O no hydrogen 3.420 N/A ASN 210.A ND2 TYR 205.A O no hydrogen 3.361 N/A SER 213.A N ASN 210.A O no hydrogen 2.814 N/A SER 213.A OG ASN 210.A O no hydrogen 2.886 N/A VAL 214.A N PHE 211.A O no hydrogen 3.389 N/A GLN 219.A N HIS 217.A ND1 no hydrogen 3.360 N/A LEU 221.A N TYR 232.A OH no hydrogen 3.286 N/A GLY 222.A N GLN 219.A O no hydrogen 3.074 N/A PHE 225.A N GLY 222.A O no hydrogen 3.315 N/A THR 226.A N GLY 222.A O no hydrogen 3.348 N/A THR 226.A OG1 PRO 223.A O no hydrogen 3.267 N/A GLY 227.A N PRO 223.A O no hydrogen 2.871 N/A TRP 229.A N GLY 227.A O no hydrogen 2.941 N/A TYR 232.A N TRP 229.A O no hydrogen 2.904 N/A ALA 233.A N ASN 230.A O no hydrogen 2.966 N/A GLN 234.A NE2 ASN 230.A O no hydrogen 3.580 N/A SER 238.A OG ASN 240.A OD1 no hydrogen 2.291 N/A ASN 240.A N SER 238.A OG no hydrogen 3.085 N/A HIS 241.A ND1 HIS 261.A NE2 no hydrogen 3.223 N/A HIS 241.A NE2 THR 245.A O no hydrogen 3.230 N/A LEU 242.A N GLN 247.A O no hydrogen 3.393 N/A PHE 243.A N GLN 263.A OE1 no hydrogen 2.840 N/A SER 244.A OG SER 244.A O no hydrogen 2.365 N/A THR 245.A N LEU 242.A O no hydrogen 3.059 N/A THR 245.A OG1 LEU 242.A O no hydrogen 2.984 N/A SER 246.A OG GLN 247.A OE1 no hydrogen 3.041 N/A GLN 247.A N THR 245.A OG1 no hydrogen 3.181 N/A ALA 249.A N SER 246.A O no hydrogen 3.129 N/A GLY 250.A N ASP 237.A OD2 no hydrogen 3.274 N/A THR 251.A N ASN 235.A O no hydrogen 2.974 N/A ALA 252.A N ASN 235.A O no hydrogen 3.192 N/A ILE 253.A N TYR 232.A O no hydrogen 3.233 N/A THR 255.A OG1 THR 270.A OG1 no hydrogen 3.354 N/A THR 255.A OG1 ASP 271.A OD1 no hydrogen 2.435 N/A LEU 257.A N ASP 271.A OD1 no hydrogen 3.231 N/A GLY 258.A N ASP 271.A OD2 no hydrogen 3.300 N/A HIS 261.A N SER 266.A O no hydrogen 2.492 N/A HIS 261.A NE2 HIS 241.A ND1 no hydrogen 3.223 N/A GLN 263.A N HIS 261.A ND1 no hydrogen 2.976 N/A THR 264.A N HIS 261.A ND1 no hydrogen 3.472 N/A GLN 265.A N HIS 261.A O no hydrogen 2.863 N/A SER 266.A OG LEU 267.A O no hydrogen 3.499 N/A LEU 267.A N PRO 355.A O no hydrogen 3.134 N/A THR 270.A OG1 THR 255.A OG1 no hydrogen 3.354 N/A MET 272.A N TRP 268.A O no hydrogen 3.413 N/A ALA 273.A N LEU 269.A O no hydrogen 2.969 N/A HIS 274.A N THR 270.A O no hydrogen 2.995 N/A HIS 274.A ND1 THR 255.A O no hydrogen 2.753 N/A HIS 275.A N ASP 271.A O no hydrogen 2.893 N/A HIS 276.A N MET 272.A O no hydrogen 2.985 N/A HIS 276.A ND1 MET 272.A O no hydrogen 2.632 N/A LEU 277.A N ALA 273.A O no hydrogen 3.026 N/A ALA 278.A N HIS 274.A O no hydrogen 2.964 N/A ILE 279.A N HIS 275.A O no hydrogen 2.997 N/A ALA 280.A N HIS 276.A O no hydrogen 2.939 N/A ILE 281.A N LEU 277.A O no hydrogen 3.012 N/A LEU 282.A N ALA 278.A O no hydrogen 3.063 N/A PHE 283.A N ILE 279.A O no hydrogen 2.883 N/A LEU 284.A N ALA 280.A O no hydrogen 2.935 N/A ILE 285.A N ILE 281.A O no hydrogen 3.033 N/A GLY 286.A N LEU 282.A O no hydrogen 2.937 N/A GLY 287.A N PHE 283.A O no hydrogen 2.916 N/A ARG 291.A N HIS 298.A O no hydrogen 2.810 N/A HIS 298.A N MET 289.A O no hydrogen 3.096 N/A ILE 300.A N GLU 171.A OE2 no hydrogen 3.291 N/A ILE 303.A N SER 299.A O no hydrogen 3.139 N/A LEU 304.A N ILE 300.A O no hydrogen 2.934 N/A GLU 305.A N LYS 301.A O no hydrogen 2.914 N/A ALA 306.A N TYR 302.A O no hydrogen 2.925 N/A HIS 307.A ND1 ILE 303.A O no hydrogen 2.997 N/A GLY 312.A N PRO 309.A O no hydrogen 3.286 N/A ARG 316.A N ASP 404.A O no hydrogen 2.769 N/A ARG 316.A NH1 ALA 403.A O no hydrogen 2.616 N/A GLY 317.A N LEU 314.A O no hydrogen 2.945 N/A HIS 318.A ND1 HIS 307.A O no hydrogen 2.995 N/A LYS 319.A N ARG 316.A O no hydrogen 3.265 N/A LEU 321.A N HIS 318.A O no hydrogen 3.184 N/A THR 324.A OG1 GLY 320.A O no hydrogen 3.284 N/A THR 324.A OG1 ASN 402.A OD1 no hydrogen 2.436 N/A ILE 325.A N LEU 321.A O no hydrogen 2.923 N/A ASN 326.A N TYR 322.A O no hydrogen 2.876 N/A ASN 326.A ND2 LYS 168.A O no hydrogen 3.171 N/A ASN 327.A N ASP 323.A O no hydrogen 3.197 N/A HIS 330.A ND1 HIS 388.A ND1 no hydrogen 3.195 N/A HIS 330.A NE2 GLU 31.A OE2 no hydrogen 2.965 N/A GLN 332.A NE2 ILE 325.A O no hydrogen 2.676 N/A GLN 332.A NE2 ASN 326.A O no hydrogen 3.383 N/A LEU 333.A N ILE 329.A O no hydrogen 2.922 N/A GLY 334.A N HIS 330.A O no hydrogen 2.895 N/A LEU 335.A N PHE 331.A O no hydrogen 3.012 N/A ALA 336.A N GLN 332.A O no hydrogen 2.923 N/A LEU 337.A N LEU 333.A O no hydrogen 2.890 N/A ALA 338.A N GLY 334.A O no hydrogen 2.968 N/A SER 339.A N LEU 335.A O no hydrogen 3.064 N/A SER 339.A OG LEU 335.A O no hydrogen 2.826 N/A LEU 340.A N ALA 336.A O no hydrogen 2.964 N/A GLY 341.A N LEU 337.A O no hydrogen 2.884 N/A VAL 342.A N ALA 338.A O no hydrogen 3.097 N/A ILE 343.A N SER 339.A O no hydrogen 3.065 N/A THR 344.A N LEU 340.A O no hydrogen 2.893 N/A THR 344.A OG1 LEU 340.A O no hydrogen 2.291 N/A SER 345.A N GLY 341.A O no hydrogen 3.118 N/A SER 345.A OG VAL 342.A O no hydrogen 3.402 N/A LEU 346.A N VAL 342.A O no hydrogen 2.983 N/A VAL 347.A N ILE 343.A O no hydrogen 2.871 N/A ALA 348.A N THR 344.A O no hydrogen 3.017 N/A GLN 349.A N SER 345.A O no hydrogen 2.939 N/A HIS 350.A N LEU 346.A O no hydrogen 2.951 N/A MET 351.A N VAL 347.A O no hydrogen 2.947 N/A SER 353.A OG GLN 349.A O no hydrogen 3.515 N/A SER 353.A OG HIS 350.A O no hydrogen 3.568 N/A LEU 354.A N HIS 350.A O no hydrogen 3.011 N/A ALA 358.A N THR 125.A OG1 no hydrogen 3.188 N/A ASP 363.A N ILE 360.A O no hydrogen 3.254 N/A THR 366.A N ASP 363.A OD1 no hydrogen 3.153 N/A THR 366.A OG1 ASP 363.A OD1 no hydrogen 3.114 N/A GLN 367.A N ASP 363.A O no hydrogen 3.348 N/A ALA 368.A N PHE 364.A O no hydrogen 3.027 N/A ALA 369.A N THR 365.A O no hydrogen 2.904 N/A LEU 370.A N THR 366.A O no hydrogen 2.926 N/A TYR 371.A N GLN 367.A O no hydrogen 3.023 N/A TYR 371.A OH GLN 349.A OE1 no hydrogen 3.278 N/A THR 372.A N ALA 368.A O no hydrogen 3.055 N/A THR 372.A OG1 ALA 368.A O no hydrogen 2.648 N/A HIS 373.A N ALA 369.A O no hydrogen 2.964 N/A HIS 374.A N LEU 370.A O no hydrogen 3.003 N/A GLN 375.A N TYR 371.A O no hydrogen 2.994 N/A GLN 375.A NE2 TYR 371.A OH no hydrogen 3.023 N/A TYR 376.A N THR 372.A O no hydrogen 3.013 N/A ILE 377.A N HIS 373.A O no hydrogen 3.070 N/A ALA 378.A N HIS 374.A O no hydrogen 2.988 N/A GLY 379.A N GLN 375.A O no hydrogen 2.988 N/A PHE 380.A N TYR 376.A O no hydrogen 3.098 N/A ILE 381.A N ILE 377.A O no hydrogen 2.979 N/A MET 382.A N ALA 378.A O no hydrogen 2.957 N/A THR 383.A N GLY 379.A O no hydrogen 3.094 N/A THR 383.A OG1 PHE 380.A O no hydrogen 2.676 N/A GLY 384.A N PHE 380.A O no hydrogen 3.045 N/A ALA 385.A N ILE 381.A O no hydrogen 2.901 N/A PHE 386.A N MET 382.A O no hydrogen 3.070 N/A ALA 387.A N THR 383.A O no hydrogen 2.968 N/A HIS 388.A N GLY 384.A O no hydrogen 3.031 N/A HIS 388.A ND1 HIS 330.A ND1 no hydrogen 3.195 N/A GLY 389.A N PHE 386.A O no hydrogen 3.262 N/A ILE 391.A N ALA 387.A O no hydrogen 3.048 N/A PHE 392.A N HIS 388.A O no hydrogen 2.895 N/A PHE 393.A N GLY 389.A O no hydrogen 2.946 N/A ILE 394.A N ALA 390.A O no hydrogen 3.000 N/A ARG 395.A N ILE 391.A O no hydrogen 2.895 N/A ARG 395.A NH1 ASP 29.A OD1 no hydrogen 3.344 N/A ARG 395.A NH2 ASP 29.A OD2 no hydrogen 3.236 N/A ASP 396.A N PHE 392.A O no hydrogen 3.089 N/A ASN 402.A N PRO 399.A O no hydrogen 3.013 N/A ASN 402.A ND2 ASN 398.A O no hydrogen 2.371 N/A ASN 405.A N ASN 402.A O no hydrogen 3.304 N/A ASN 405.A ND2 LYS 319.A O no hydrogen 3.385 N/A VAL 406.A N GLY 317.A O no hydrogen 2.926 N/A LEU 407.A N ASN 405.A OD1 no hydrogen 3.262 N/A ALA 408.A N ASN 405.A OD1 no hydrogen 3.466 N/A ARG 409.A N ASN 405.A O no hydrogen 3.021 N/A MET 410.A N VAL 406.A O no hydrogen 2.911 N/A LEU 411.A N LEU 407.A O no hydrogen 3.021 N/A GLU 412.A N ARG 409.A O no hydrogen 3.043 N/A HIS 413.A ND1 ARG 409.A O no hydrogen 2.645 N/A LYS 414.A NZ ASP 539.A OD1 no hydrogen 3.386 N/A GLU 415.A N GLU 415.A OE1 no hydrogen 2.911 N/A ALA 416.A N HIS 413.A O no hydrogen 3.210 N/A ILE 417.A N HIS 413.A O no hydrogen 3.330 N/A ILE 418.A N LYS 414.A O no hydrogen 2.957 N/A SER 419.A N GLU 415.A O no hydrogen 2.904 N/A HIS 420.A ND1 ALA 416.A O no hydrogen 2.840 N/A LEU 421.A N ILE 417.A O no hydrogen 3.011 N/A SER 422.A N ILE 418.A O no hydrogen 2.896 N/A TRP 423.A N SER 419.A O no hydrogen 2.924 N/A ALA 424.A N HIS 420.A O no hydrogen 2.948 N/A SER 425.A N LEU 421.A O no hydrogen 3.006 N/A LEU 426.A N SER 422.A O no hydrogen 2.940 N/A PHE 427.A N TRP 423.A O no hydrogen 2.949 N/A LEU 428.A N ALA 424.A O no hydrogen 3.023 N/A GLY 429.A N SER 425.A O no hydrogen 2.971 N/A PHE 430.A N LEU 426.A O no hydrogen 2.931 N/A HIS 431.A N PHE 427.A O no hydrogen 3.081 N/A HIS 431.A ND1 PHE 427.A O no hydrogen 2.829 N/A THR 432.A N LEU 428.A O no hydrogen 2.934 N/A THR 432.A OG1 LEU 428.A O no hydrogen 2.523 N/A LEU 433.A N GLY 429.A O no hydrogen 3.019 N/A GLY 434.A N PHE 430.A O no hydrogen 2.941 N/A LEU 435.A N HIS 431.A O no hydrogen 2.965 N/A TYR 436.A N THR 432.A O no hydrogen 3.033 N/A VAL 437.A N LEU 433.A O no hydrogen 2.967 N/A HIS 438.A N GLY 434.A O no hydrogen 2.894 N/A HIS 438.A NE2 LYS 450.A O no hydrogen 3.107 N/A ASN 439.A N LEU 435.A O no hydrogen 2.963 N/A ASN 439.A ND2 ILE 452.A O no hydrogen 3.476 N/A ASN 439.A ND2 THR 613.A O no hydrogen 2.936 N/A ASP 440.A N TYR 436.A O no hydrogen 2.951 N/A VAL 441.A N VAL 437.A O no hydrogen 2.935 N/A MET 442.A N HIS 438.A O no hydrogen 2.919 N/A LEU 443.A N ASN 439.A O no hydrogen 2.997 N/A ALA 444.A N ASP 440.A O no hydrogen 2.904 N/A PHE 445.A N VAL 441.A O no hydrogen 3.100 N/A GLY 446.A N LEU 443.A O no hydrogen 3.182 N/A THR 447.A N MET 442.A O no hydrogen 2.916 N/A THR 447.A OG1 MET 442.A O no hydrogen 2.940 N/A LYS 450.A N THR 447.A O no hydrogen 3.124 N/A GLN 451.A N PRO 448.A O no hydrogen 3.448 N/A GLN 451.A NE2 PRO 448.A O no hydrogen 2.860 N/A ILE 452.A N ASN 439.A OD1 no hydrogen 3.209 N/A GLN 460.A N PRO 456.A O no hydrogen 3.243 N/A GLN 460.A NE2 GLU 455.A OE2 no hydrogen 2.713 N/A GLN 460.A NE2 ILE 511.A O no hydrogen 3.381 N/A TRP 461.A N ILE 457.A O no hydrogen 3.106 N/A ILE 462.A N PHE 458.A O no hydrogen 2.920 N/A GLN 463.A N ALA 459.A O no hydrogen 2.923 N/A GLN 463.A NE2 LEU 509.A O no hydrogen 3.254 N/A SER 464.A N GLN 460.A O no hydrogen 2.929 N/A SER 464.A OG GLN 460.A O no hydrogen 2.907 N/A ALA 465.A N TRP 461.A O no hydrogen 2.893 N/A HIS 466.A N ILE 462.A O no hydrogen 3.220 N/A HIS 466.A N GLN 463.A O no hydrogen 3.271 N/A GLY 467.A N SER 464.A O no hydrogen 2.736 N/A LYS 468.A N GLN 463.A O no hydrogen 3.106 N/A LYS 468.A NZ PHE 508.A O no hydrogen 2.731 N/A THR 469.A N ASN 501.A OD1 no hydrogen 3.205 N/A THR 469.A OG1 ASN 501.A OD1 no hydrogen 3.002 N/A TYR 471.A OH GLN 463.A OE1 no hydrogen 2.622 N/A SER 478.A N VAL 475.A O no hydrogen 2.560 N/A SER 478.A OG LYS 468.A O no hydrogen 3.347 N/A ASN 486.A N SER 482.A O no hydrogen 2.955 N/A ALA 487.A N PRO 483.A O no hydrogen 2.914 N/A ILE 491.A N GLY 488.A O no hydrogen 3.081 N/A LEU 493.A N GLY 488.A O no hydrogen 3.466 N/A TRP 496.A N TRP 492.A O no hydrogen 2.934 N/A TRP 496.A NE1 HIS 466.A O no hydrogen 3.153 N/A LEU 497.A N LEU 493.A O no hydrogen 2.862 N/A ASN 498.A N PRO 494.A O no hydrogen 2.954 N/A ALA 499.A N GLY 495.A O no hydrogen 2.974 N/A ILE 500.A N TRP 496.A O no hydrogen 2.871 N/A ASN 501.A N LEU 497.A O no hydrogen 3.319 N/A ASN 501.A ND2 GLY 467.A O no hydrogen 3.021 N/A ASN 501.A ND2 LEU 497.A O no hydrogen 3.109 N/A GLU 502.A N ALA 499.A O no hydrogen 3.205 N/A SER 504.A N GLU 502.A OE1 no hydrogen 2.305 N/A SER 504.A OG GLU 502.A OE1 no hydrogen 3.401 N/A ASN 505.A ND2 ALA 499.A O no hydrogen 2.953 N/A SER 506.A OG HIS 597.A NE2 no hydrogen 2.606 N/A GLY 512.A N ASP 515.A OD2 no hydrogen 2.591 N/A PHE 516.A N GLY 512.A O no hydrogen 3.292 N/A LEU 517.A N PRO 513.A O no hydrogen 3.082 N/A VAL 518.A N GLY 514.A O no hydrogen 3.042 N/A HIS 519.A N ASP 515.A O no hydrogen 2.950 N/A HIS 519.A ND1 ASP 515.A O no hydrogen 2.630 N/A HIS 520.A N PHE 516.A O no hydrogen 3.084 N/A HIS 520.A ND1 PHE 516.A O no hydrogen 2.788 N/A ALA 521.A N LEU 517.A O no hydrogen 3.033 N/A ILE 522.A N VAL 518.A O no hydrogen 2.936 N/A ALA 523.A N HIS 519.A O no hydrogen 2.983 N/A LEU 524.A N HIS 520.A O no hydrogen 2.963 N/A GLY 525.A N ALA 521.A O no hydrogen 2.987 N/A LEU 526.A N ILE 522.A O no hydrogen 3.004 N/A HIS 527.A N ALA 523.A O no hydrogen 2.967 N/A HIS 527.A ND1 ALA 523.A O no hydrogen 2.811 N/A THR 528.A N LEU 524.A O no hydrogen 2.966 N/A THR 528.A OG1 LEU 524.A O no hydrogen 2.898 N/A THR 529.A N GLY 525.A O no hydrogen 2.993 N/A THR 529.A OG1 GLY 525.A O no hydrogen 2.772 N/A THR 530.A N LEU 526.A O no hydrogen 2.961 N/A THR 530.A OG1 LEU 526.A O no hydrogen 2.680 N/A LEU 531.A N HIS 527.A O no hydrogen 2.883 N/A ILE 532.A N THR 528.A O no hydrogen 3.017 N/A LEU 533.A N THR 529.A O no hydrogen 3.016 N/A VAL 534.A N THR 530.A O no hydrogen 2.840 N/A LYS 535.A N LEU 531.A O no hydrogen 2.920 N/A GLY 536.A N ILE 532.A O no hydrogen 2.959 N/A ALA 537.A N LEU 533.A O no hydrogen 2.950 N/A LEU 538.A N VAL 534.A O no hydrogen 2.882 N/A ASP 539.A N LYS 535.A O no hydrogen 3.070 N/A ALA 540.A N ALA 537.A O no hydrogen 3.337 N/A ARG 541.A NH1 PHE 393.A O no hydrogen 3.382 N/A GLY 542.A N ASP 539.A O no hydrogen 3.384 N/A SER 543.A N MET 546.A O no hydrogen 2.983 N/A LYS 549.A NZ ASP 539.A O no hydrogen 3.175 N/A LYS 549.A NZ ILE 569.A O no hydrogen 2.915 N/A LYS 550.A NZ ASP 551.A OD2 no hydrogen 3.478 N/A ASP 551.A N ASP 548.A O no hydrogen 3.056 N/A PHE 552.A N LYS 549.A O no hydrogen 2.939 N/A ASP 559.A N THR 566.A OG1 no hydrogen 2.640 N/A ARG 563.A NE LEU 545.A O no hydrogen 3.097 N/A ARG 563.A NH1 ASP 559.A OD2 no hydrogen 3.410 N/A ARG 563.A NH2 LEU 545.A O no hydrogen 2.950 N/A ARG 563.A NH2 ASP 559.A OD2 no hydrogen 2.999 N/A GLY 565.A N GLY 562.A O no hydrogen 3.217 N/A THR 566.A OG1 GLY 560.A O no hydrogen 2.845 N/A SER 570.A OG ASP 573.A OD1 no hydrogen 3.096 N/A TRP 572.A N TYR 554.A O no hydrogen 3.395 N/A ASP 573.A N SER 570.A O no hydrogen 3.244 N/A ASP 573.A N SER 570.A OG no hydrogen 3.149 N/A ALA 574.A N SER 570.A O no hydrogen 3.410 N/A PHE 575.A N ALA 571.A O no hydrogen 3.045 N/A TYR 576.A N TRP 572.A O no hydrogen 2.924 N/A LEU 577.A N ASP 573.A O no hydrogen 2.950 N/A ALA 578.A N ALA 574.A O no hydrogen 2.924 N/A VAL 579.A N PHE 575.A O no hydrogen 3.048 N/A MET 582.A N ALA 578.A O no hydrogen 2.944 N/A LEU 583.A N VAL 579.A O no hydrogen 2.977 N/A ASN 584.A N PHE 580.A O no hydrogen 2.985 N/A THR 585.A N TRP 581.A O no hydrogen 2.913 N/A THR 585.A OG1 TRP 581.A O no hydrogen 3.047 N/A ILE 586.A N MET 582.A O no hydrogen 2.969 N/A GLY 587.A N LEU 583.A O no hydrogen 2.924 N/A TRP 588.A N ASN 584.A O no hydrogen 3.001 N/A VAL 589.A N THR 585.A O no hydrogen 3.008 N/A THR 590.A N ILE 586.A O no hydrogen 2.920 N/A THR 590.A OG1 ILE 586.A O no hydrogen 2.763 N/A THR 590.A OG1 GLY 587.A O no hydrogen 3.301 N/A PHE 591.A N GLY 587.A O no hydrogen 2.895 N/A TYR 592.A N TRP 588.A O no hydrogen 3.010 N/A TYR 592.A OH ASP 515.A OD1 no hydrogen 2.315 N/A TRP 593.A N VAL 589.A O no hydrogen 2.991 N/A HIS 594.A N THR 590.A O no hydrogen 2.912 N/A HIS 594.A ND1 TYR 622.A OH no hydrogen 3.079 N/A HIS 594.A NE2 THR 728.A OG1 no hydrogen 3.226 N/A TRP 595.A N PHE 591.A O no hydrogen 2.960 N/A LYS 596.A N TYR 592.A O no hydrogen 3.050 N/A LYS 596.A NZ THR 510.A O no hydrogen 3.318 N/A LYS 596.A NZ ASP 515.A OD1 no hydrogen 2.989 N/A HIS 597.A N TRP 593.A O no hydrogen 2.990 N/A HIS 597.A ND1 TRP 593.A O no hydrogen 3.191 N/A HIS 597.A NE2 SER 506.A OG no hydrogen 2.606 N/A ILE 598.A N HIS 594.A O no hydrogen 2.879 N/A THR 599.A N TRP 595.A O no hydrogen 3.037 N/A THR 599.A OG1 TRP 595.A O no hydrogen 2.829 N/A THR 599.A OG1 LYS 596.A O no hydrogen 3.038 N/A LEU 600.A N LYS 596.A O no hydrogen 3.005 N/A TRP 601.A N HIS 597.A O no hydrogen 2.855 N/A GLY 603.A N LEU 600.A O no hydrogen 3.220 N/A ASN 604.A N THR 599.A O no hydrogen 3.024 N/A GLN 607.A N ASN 604.A O no hydrogen 3.014 N/A ASN 609.A N VAL 605.A O no hydrogen 2.994 N/A GLU 610.A N SER 606.A O no hydrogen 2.909 N/A SER 611.A N GLN 607.A O no hydrogen 2.939 N/A SER 611.A OG ASP 621.A OD1 no hydrogen 2.716 N/A SER 612.A N PHE 608.A O no hydrogen 2.951 N/A SER 612.A OG PHE 608.A O no hydrogen 2.870 N/A THR 613.A OG1 GLN 451.A OE1 no hydrogen 2.882 N/A THR 613.A OG1 GLU 610.A O no hydrogen 3.520 N/A LEU 615.A N ASP 440.A OD2 no hydrogen 2.579 N/A MET 616.A N ASP 440.A OD1 no hydrogen 3.061 N/A GLY 617.A N TYR 614.A O no hydrogen 2.960 N/A TRP 618.A NE1 SER 612.A O no hydrogen 3.055 N/A LEU 619.A N LEU 615.A O no hydrogen 2.983 N/A ARG 620.A N MET 616.A O no hydrogen 2.885 N/A ARG 620.A NE ASP 621.A OD2 no hydrogen 3.449 N/A ARG 620.A NH2 TYR 614.A OH no hydrogen 3.223 N/A ARG 620.A NH2 ASP 621.A OD1 no hydrogen 3.416 N/A ASP 621.A N GLY 617.A O no hydrogen 2.890 N/A TYR 622.A OH HIS 594.A ND1 no hydrogen 3.079 N/A LEU 623.A N TRP 618.A O no hydrogen 3.308 N/A TRP 624.A N LEU 619.A O no hydrogen 3.085 N/A LEU 625.A N ARG 620.A O no hydrogen 3.033 N/A ASN 626.A ND2 TYR 622.A O no hydrogen 3.045 N/A SER 627.A N TRP 624.A O no hydrogen 3.342 N/A SER 627.A OG LEU 623.A O no hydrogen 2.361 N/A ILE 631.A N SER 627.A O no hydrogen 3.158 N/A ASN 632.A N SER 628.A O no hydrogen 2.962 N/A ASN 632.A N GLN 629.A O no hydrogen 3.033 N/A ASN 632.A ND2 SER 628.A O no hydrogen 3.306 N/A GLY 633.A N LEU 630.A O no hydrogen 2.977 N/A ASN 635.A N GLY 638.A O no hydrogen 2.982 N/A ASN 635.A ND2 ASN 632.A O no hydrogen 3.200 N/A ASN 635.A ND2 ASN 632.A OD1 no hydrogen 3.147 N/A PHE 637.A N ASN 635.A OD1 no hydrogen 2.939 N/A GLY 638.A N ASN 635.A O no hydrogen 2.845 N/A ASN 640.A N GLY 633.A O no hydrogen 3.161 N/A LEU 642.A N ASN 640.A OD1 no hydrogen 3.069 N/A SER 643.A N ASN 640.A O no hydrogen 3.027 N/A TRP 645.A N LEU 642.A O no hydrogen 2.946 N/A ALA 646.A N LEU 642.A O no hydrogen 2.996 N/A TRP 647.A N SER 643.A O no hydrogen 2.886 N/A MET 648.A N VAL 644.A O no hydrogen 3.039 N/A PHE 649.A N TRP 645.A O no hydrogen 2.804 N/A LEU 650.A N TRP 647.A O no hydrogen 2.960 N/A PHE 651.A N TRP 647.A O no hydrogen 3.085 N/A GLY 652.A N MET 648.A O no hydrogen 2.897 N/A HIS 653.A N PHE 649.A O no hydrogen 3.238 N/A HIS 653.A ND1 PHE 649.A O no hydrogen 2.891 N/A LEU 654.A N LEU 650.A O no hydrogen 2.828 N/A VAL 655.A N PHE 651.A O no hydrogen 2.877 N/A TRP 656.A N GLY 652.A O no hydrogen 3.231 N/A ALA 657.A N HIS 653.A O no hydrogen 3.337 N/A THR 658.A N LEU 654.A O no hydrogen 2.974 N/A THR 658.A OG1 LEU 654.A O no hydrogen 3.281 N/A GLY 659.A N VAL 655.A O no hydrogen 3.030 N/A PHE 660.A N ALA 657.A O no hydrogen 2.940 N/A MET 661.A N THR 658.A O no hydrogen 2.972 N/A LEU 663.A N GLY 659.A O no hydrogen 3.231 N/A LEU 663.A N PHE 660.A O no hydrogen 2.973 N/A ILE 664.A N PHE 660.A O no hydrogen 2.858 N/A ILE 664.A N MET 661.A O no hydrogen 3.009 N/A SER 665.A N MET 661.A O no hydrogen 2.951 N/A TRP 666.A NE1 LEU 663.A O no hydrogen 3.274 N/A ARG 667.A NE LEU 699.A O no hydrogen 2.874 N/A ARG 667.A NH2 GLN 671.A OE1 no hydrogen 2.827 N/A TRP 670.A NE1 SER 665.A OG no hydrogen 2.623 N/A GLN 671.A N ARG 667.A O no hydrogen 3.000 N/A GLN 671.A NE2 GLN 671.A O no hydrogen 2.820 N/A GLU 672.A N GLY 668.A O no hydrogen 3.051 N/A LEU 673.A N TYR 669.A O no hydrogen 3.094 N/A ILE 674.A N TRP 670.A O no hydrogen 2.933 N/A GLU 675.A N GLN 671.A O no hydrogen 3.026 N/A THR 676.A N GLU 672.A O no hydrogen 3.099 N/A LEU 677.A N LEU 673.A O no hydrogen 3.029 N/A ALA 678.A N ILE 674.A O no hydrogen 2.918 N/A TRP 679.A N GLU 675.A O no hydrogen 3.115 N/A ALA 680.A N THR 676.A O no hydrogen 3.024 N/A HIS 681.A N LEU 677.A O no hydrogen 2.951 N/A GLU 682.A N ALA 678.A O no hydrogen 3.021 N/A ARG 683.A N TRP 679.A O no hydrogen 3.068 N/A ARG 683.A N ALA 680.A O no hydrogen 3.262 N/A THR 684.A N HIS 681.A O no hydrogen 3.065 N/A ASN 688.A N THR 684.A O no hydrogen 3.186 N/A ASN 688.A ND2 GLU 682.A O no hydrogen 3.613 N/A ILE 690.A N ALA 687.A O no hydrogen 3.350 N/A LYS 695.A N PRO 15.A O no hydrogen 3.276 N/A SER 700.A N GLN 703.A OE1 no hydrogen 3.384 N/A ALA 704.A N SER 700.A O no hydrogen 2.876 N/A ARG 705.A N ILE 701.A O no hydrogen 3.011 N/A LEU 706.A N VAL 702.A O no hydrogen 2.959 N/A VAL 707.A N GLN 703.A O no hydrogen 2.916 N/A GLY 708.A N ALA 704.A O no hydrogen 2.916 N/A LEU 709.A N ARG 705.A O no hydrogen 2.951 N/A VAL 710.A N LEU 706.A O no hydrogen 2.918 N/A HIS 711.A N VAL 707.A O no hydrogen 3.022 N/A HIS 711.A ND1 VAL 707.A O no hydrogen 2.891 N/A PHE 712.A N GLY 708.A O no hydrogen 2.920 N/A SER 713.A N LEU 709.A O no hydrogen 2.998 N/A SER 713.A OG LEU 709.A O no hydrogen 2.771 N/A VAL 714.A N VAL 710.A O no hydrogen 2.929 N/A GLY 715.A N HIS 711.A O no hydrogen 2.931 N/A TYR 716.A N PHE 712.A O no hydrogen 2.955 N/A TYR 716.A OH LEU 583.A O no hydrogen 3.123 N/A ILE 717.A N SER 713.A O no hydrogen 2.986 N/A PHE 718.A N VAL 714.A O no hydrogen 2.979 N/A THR 719.A N GLY 715.A O no hydrogen 2.969 N/A TYR 720.A N TYR 716.A O no hydrogen 3.104 N/A ALA 721.A N ILE 717.A O no hydrogen 2.912 N/A ALA 722.A N PHE 718.A O no hydrogen 3.019 N/A PHE 723.A N THR 719.A O no hydrogen 3.058 N/A LEU 724.A N TYR 720.A O no hydrogen 2.897 N/A ILE 725.A N ALA 721.A O no hydrogen 2.988 N/A ALA 726.A N ALA 722.A O no hydrogen 2.966 N/A SER 727.A N PHE 723.A O no hydrogen 2.917 N/A SER 727.A OG PHE 723.A O no hydrogen 2.947 N/A SER 727.A OG LEU 724.A O no hydrogen 3.409 N/A THR 728.A N LEU 724.A O no hydrogen 3.043 N/A THR 728.A OG1 LEU 724.A O no hydrogen 3.424 N/A SER 729.A N ILE 725.A O no hydrogen 2.840 N/A SER 729.A OG TYR 116.A OH no hydrogen 2.683 N/A GLY 730.A N ALA 726.A O no hydrogen 3.040 N/A LYS 731.A NZ ASN 626.A OD1 no hydrogen 3.276 N/A LYS 731.A NZ SER 727.A O no hydrogen 3.475 N/A PHE 732.A N THR 728.A O no hydrogen 2.635 N/A