Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rul_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 23.A O no hydrogen 2.573 N/A LEU 4.A N HIS 83.A O no hydrogen 2.942 N/A VAL 5.A N VAL 25.A O no hydrogen 2.886 N/A ILE 6.A N TYR 85.A O no hydrogen 2.935 N/A VAL 7.A N LYS 27.A O no hydrogen 2.907 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.545 N/A SER 9.A OG GLU 291.A OE1 no hydrogen 2.828 N/A LYS 12.A NZ GLU 8.A OE1 no hydrogen 3.022 N/A LYS 12.A NZ GLU 8.A OE2 no hydrogen 3.498 N/A LYS 12.A NZ ALA 87.A O no hydrogen 2.941 N/A LYS 12.A NZ ASP 89.A OD1 no hydrogen 2.466 N/A ALA 13.A N SER 9.A O no hydrogen 2.750 N/A LYS 14.A N PRO 10.A O no hydrogen 2.918 N/A THR 15.A OG1 ALA 11.A O no hydrogen 2.918 N/A THR 15.A OG1 GLU 291.A O no hydrogen 2.673 N/A ILE 16.A N LYS 12.A O no hydrogen 3.262 N/A ASN 17.A N ALA 13.A O no hydrogen 3.103 N/A LYS 18.A N THR 15.A O no hydrogen 3.304 N/A TYR 19.A N ILE 16.A O no hydrogen 3.267 N/A LEU 20.A N ASN 17.A O no hydrogen 3.296 N/A ASP 23.A N ASP 23.A OD1 no hydrogen 2.480 N/A VAL 25.A N ALA 3.A O no hydrogen 2.959 N/A LYS 27.A N VAL 5.A O no hydrogen 2.825 N/A LYS 27.A NZ SER 28.A O no hydrogen 2.705 N/A SER 29.A N VAL 7.A O no hydrogen 2.988 N/A SER 29.A OG SER 29.A O no hydrogen 2.510 N/A ASP 35.A N GLU 62.A O no hydrogen 3.401 N/A ALA 44.A N ASP 40.A O no hydrogen 3.200 N/A LEU 45.A N GLU 41.A O no hydrogen 3.182 N/A LEU 45.A N ARG 42.A O no hydrogen 3.126 N/A VAL 46.A N ARG 42.A O no hydrogen 3.176 N/A ASN 47.A N GLY 43.A O no hydrogen 3.354 N/A ASN 47.A ND2 GLY 43.A O no hydrogen 2.850 N/A ARG 48.A N ALA 44.A O no hydrogen 3.255 N/A MET 49.A N LEU 45.A O no hydrogen 2.935 N/A GLY 50.A N VAL 46.A O no hydrogen 2.736 N/A ASP 52.A N GLU 58.A O no hydrogen 3.054 N/A TRP 54.A N ASP 52.A OD1 no hydrogen 3.199 N/A HIS 55.A N ASP 52.A O no hydrogen 2.970 N/A TRP 57.A N ASP 52.A O no hydrogen 2.895 N/A TRP 57.A NE1 ASP 540.A OD1 no hydrogen 2.518 N/A GLU 58.A N HIS 55.A O no hydrogen 3.376 N/A HIS 60.A N GLY 50.A O no hydrogen 2.998 N/A TYR 61.A OH GLN 144.A OE1 no hydrogen 2.363 N/A GLU 62.A N ASP 35.A O no hydrogen 3.031 N/A LEU 64.A N ILE 33.A O no hydrogen 3.217 N/A GLU 68.A N GLU 68.A OE1 no hydrogen 2.604 N/A VAL 71.A N LYS 67.A O no hydrogen 3.145 N/A SER 72.A N GLU 68.A O no hydrogen 3.385 N/A GLU 73.A N LYS 69.A O no hydrogen 3.251 N/A LEU 74.A N VAL 70.A O no hydrogen 2.752 N/A LYS 75.A N VAL 71.A O no hydrogen 2.522 N/A GLN 76.A N SER 72.A O no hydrogen 2.866 N/A LEU 77.A N GLU 73.A O no hydrogen 3.478 N/A ALA 78.A N LEU 74.A O no hydrogen 3.234 N/A ALA 81.A N ALA 78.A O no hydrogen 2.827 N/A ASP 82.A N LYS 2.A O no hydrogen 2.970 N/A HIS 83.A ND1 ARG 111.A O no hydrogen 2.546 N/A HIS 83.A NE2 SER 113.A OG no hydrogen 2.663 N/A ILE 84.A N HIS 83.A ND1 no hydrogen 3.009 N/A ILE 84.A N ARG 111.A O no hydrogen 2.905 N/A TYR 85.A N LEU 4.A O no hydrogen 2.531 N/A LEU 86.A N SER 113.A O no hydrogen 2.760 N/A ALA 87.A N ILE 6.A O no hydrogen 3.006 N/A THR 88.A OG1 GLY 94.A O no hydrogen 2.873 N/A ASP 89.A N GLU 8.A OE2 no hydrogen 2.999 N/A ARG 92.A NH2 ASP 526.A OD1 no hydrogen 2.566 N/A GLY 94.A N ASP 91.A OD1 no hydrogen 3.234 N/A GLU 95.A N ASP 91.A O no hydrogen 3.241 N/A ALA 96.A N ARG 92.A O no hydrogen 2.839 N/A ILE 97.A N GLU 93.A O no hydrogen 2.901 N/A ALA 98.A N GLY 94.A O no hydrogen 2.823 N/A TRP 99.A N GLU 95.A O no hydrogen 2.903 N/A HIS 100.A N ALA 96.A O no hydrogen 3.102 N/A LEU 101.A N ILE 97.A O no hydrogen 3.196 N/A ARG 102.A N ALA 98.A O no hydrogen 3.131 N/A GLU 103.A N TRP 99.A O no hydrogen 3.014 N/A VAL 104.A N HIS 100.A O no hydrogen 3.248 N/A VAL 104.A N LEU 101.A O no hydrogen 3.195 N/A ILE 105.A N LEU 101.A O no hydrogen 3.061 N/A GLY 106.A N ARG 102.A O no hydrogen 3.116 N/A ARG 111.A N ASP 108.A O no hydrogen 3.091 N/A TYR 112.A N ASP 109.A O no hydrogen 3.062 N/A TYR 112.A OH GLY 106.A O no hydrogen 2.209 N/A SER 113.A N ILE 84.A O no hydrogen 2.815 N/A SER 113.A OG HIS 83.A NE2 no hydrogen 2.663 N/A SER 113.A OG TYR 112.A O no hydrogen 2.898 N/A ARG 114.A N GLY 133.A O no hydrogen 2.777 N/A ARG 114.A NH1 ASP 89.A O no hydrogen 3.451 N/A ARG 114.A NH2 ASP 89.A O no hydrogen 2.497 N/A VAL 115.A N LEU 86.A O no hydrogen 3.169 N/A ALA 124.A N THR 121.A OG1 no hydrogen 3.271 N/A ILE 125.A N THR 121.A O no hydrogen 3.055 N/A ARG 126.A N LYS 122.A O no hydrogen 3.079 N/A GLN 127.A N ASN 123.A O no hydrogen 2.959 N/A ALA 128.A N ALA 124.A O no hydrogen 3.235 N/A PHE 129.A N ILE 125.A O no hydrogen 3.178 N/A GLY 133.A N ARG 114.A O no hydrogen 3.192 N/A ASN 136.A N GLU 95.A OE1 no hydrogen 3.228 N/A ARG 139.A N ASN 136.A OD1 no hydrogen 3.245 N/A ARG 139.A NH2 LEU 90.A O no hydrogen 2.527 N/A ARG 139.A NH2 GLU 95.A OE2 no hydrogen 3.174 N/A VAL 140.A N ASN 136.A O no hydrogen 3.285 N/A ASN 141.A N ILE 137.A O no hydrogen 2.894 N/A ALA 142.A N ASP 138.A O no hydrogen 3.228 N/A GLN 143.A N VAL 140.A O no hydrogen 2.977 N/A GLN 144.A N VAL 140.A O no hydrogen 3.022 N/A ALA 145.A N ASN 141.A O no hydrogen 2.803 N/A ARG 146.A NH1 GLU 522.A OE1 no hydrogen 2.799 N/A ARG 146.A NH1 GLU 522.A OE2 no hydrogen 2.844 N/A ARG 146.A NH2 GLU 522.A OE2 no hydrogen 3.022 N/A ARG 147.A N GLN 143.A O no hydrogen 2.653 N/A ARG 147.A NE ASP 35.A OD1 no hydrogen 3.510 N/A ARG 147.A NH2 ASP 35.A OD2 no hydrogen 3.004 N/A PHE 148.A N GLN 144.A O no hydrogen 2.856 N/A MET 149.A N ALA 145.A O no hydrogen 2.961 N/A ASP 150.A N ARG 146.A O no hydrogen 3.001 N/A ARG 151.A N ARG 147.A O no hydrogen 3.271 N/A VAL 152.A N PHE 148.A O no hydrogen 2.877 N/A VAL 153.A N MET 149.A O no hydrogen 3.247 N/A GLY 154.A N ASP 150.A O no hydrogen 3.232 N/A TYR 155.A N ARG 151.A O no hydrogen 2.805 N/A VAL 157.A N VAL 153.A O no hydrogen 3.033 N/A SER 158.A OG GLY 154.A O no hydrogen 2.446 N/A LEU 161.A N VAL 157.A O no hydrogen 2.975 N/A TRP 162.A N SER 158.A O no hydrogen 3.073 N/A TRP 162.A NE1 LEU 169.A O no hydrogen 2.857 N/A LYS 163.A N PRO 159.A O no hydrogen 3.283 N/A LYS 164.A N LEU 160.A O no hydrogen 3.102 N/A LYS 164.A NZ LYS 555.A O no hydrogen 2.761 N/A LYS 164.A NZ MET 562.A O no hydrogen 3.093 N/A ILE 165.A N LEU 161.A O no hydrogen 2.815 N/A ALA 166.A N LEU 161.A O no hydrogen 3.020 N/A ARG 173.A NE ASP 150.A OD1 no hydrogen 2.815 N/A ARG 173.A NH2 ASP 150.A OD1 no hydrogen 3.322 N/A GLN 175.A N GLN 175.A OE1 no hydrogen 2.625 N/A GLN 175.A NE2 THR 478.A OG1 no hydrogen 3.182 N/A SER 176.A N GLY 172.A O no hydrogen 3.326 N/A SER 176.A OG GLY 172.A O no hydrogen 2.655 N/A VAL 177.A N VAL 174.A O no hydrogen 2.934 N/A ALA 178.A N VAL 174.A O no hydrogen 3.027 N/A VAL 179.A N GLN 175.A O no hydrogen 2.949 N/A ARG 180.A N SER 176.A O no hydrogen 3.191 N/A ARG 180.A NE GLU 184.A OE2 no hydrogen 2.838 N/A ARG 180.A NH1 MET 513.A O no hydrogen 2.460 N/A VAL 182.A N ALA 178.A O no hydrogen 3.319 N/A VAL 183.A N VAL 179.A O no hydrogen 2.734 N/A GLU 184.A N ARG 180.A O no hydrogen 2.786 N/A ARG 185.A N LEU 181.A O no hydrogen 3.065 N/A ARG 185.A NE ALA 450.A O no hydrogen 2.980 N/A GLU 186.A N VAL 182.A O no hydrogen 2.895 N/A ARG 187.A N VAL 183.A O no hydrogen 3.098 N/A ARG 187.A N GLU 184.A O no hydrogen 3.214 N/A ARG 187.A NH1 ASP 503.A OD1 no hydrogen 2.895 N/A ARG 187.A NH2 ASP 503.A OD1 no hydrogen 3.359 N/A ARG 187.A NH2 ASP 503.A OD2 no hydrogen 2.438 N/A GLU 188.A N GLU 184.A O no hydrogen 3.157 N/A GLU 188.A N ARG 185.A O no hydrogen 3.097 N/A ILE 189.A N ARG 185.A O no hydrogen 3.205 N/A LYS 190.A N GLU 186.A O no hydrogen 3.092 N/A LYS 190.A NZ ASP 645.A OD1 no hydrogen 3.200 N/A LYS 190.A NZ ASP 645.A OD2 no hydrogen 2.981 N/A ALA 191.A N ARG 187.A O no hydrogen 3.325 N/A PHE 192.A N ILE 189.A O no hydrogen 3.012 N/A GLU 195.A N THR 446.A OG1 no hydrogen 2.655 N/A PHE 197.A N HIS 444.A O no hydrogen 3.004 N/A TRP 198.A N PRO 226.A O no hydrogen 3.195 N/A TRP 198.A NE1 GLU 196.A OE2 no hydrogen 2.822 N/A GLU 199.A N ALA 442.A O no hydrogen 2.936 N/A ASP 201.A N THR 440.A O no hydrogen 2.449 N/A SER 203.A N GLU 438.A O no hydrogen 2.760 N/A SER 203.A OG GLU 438.A O no hydrogen 3.283 N/A THR 204.A N LEU 212.A O no hydrogen 2.815 N/A THR 204.A OG1 LEU 212.A O no hydrogen 2.743 N/A THR 205.A N THR 435.A O no hydrogen 3.019 N/A THR 205.A OG1 THR 206.A O no hydrogen 3.108 N/A THR 205.A OG1 GLU 210.A O no hydrogen 3.345 N/A THR 206.A N GLU 210.A O no hydrogen 2.930 N/A THR 206.A OG1 GLU 210.A O no hydrogen 2.651 N/A GLU 210.A N THR 206.A OG1 no hydrogen 2.279 N/A LEU 212.A N THR 204.A O no hydrogen 2.978 N/A LEU 214.A N ALA 202.A O no hydrogen 3.104 N/A GLN 215.A N LYS 398.A O no hydrogen 3.032 N/A THR 217.A N ARG 396.A O no hydrogen 2.870 N/A THR 217.A OG1 HIS 218.A ND1 no hydrogen 2.425 N/A THR 217.A OG1 ARG 396.A O no hydrogen 2.601 N/A HIS 218.A N ARG 396.A O no hydrogen 3.065 N/A HIS 218.A ND1 THR 217.A OG1 no hydrogen 2.425 N/A GLN 219.A N LYS 222.A O no hydrogen 2.605 N/A ASN 220.A N ASP 394.A O no hydrogen 2.769 N/A LYS 222.A N GLN 219.A O no hydrogen 3.115 N/A PHE 224.A N THR 217.A O no hydrogen 2.710 N/A GLN 231.A N ASN 228.A OD1 no hydrogen 3.097 N/A THR 232.A N ASN 228.A O no hydrogen 3.370 N/A THR 232.A OG1 ASN 228.A O no hydrogen 3.410 N/A THR 232.A OG1 LYS 229.A O no hydrogen 2.304 N/A GLN 233.A N LYS 229.A O no hydrogen 3.142 N/A ALA 234.A N GLU 230.A O no hydrogen 3.284 N/A ALA 235.A N THR 232.A O no hydrogen 2.683 N/A VAL 236.A N THR 232.A O no hydrogen 2.677 N/A SER 237.A N GLN 233.A O no hydrogen 3.149 N/A SER 237.A OG GLN 233.A O no hydrogen 3.229 N/A LEU 239.A N ALA 235.A O no hydrogen 2.917 N/A GLU 240.A N VAL 236.A O no hydrogen 2.971 N/A LYS 241.A N SER 237.A O no hydrogen 2.902 N/A TYR 244.A OH LEU 239.A O no hydrogen 2.962 N/A SER 245.A N GLY 391.A O no hydrogen 3.008 N/A SER 245.A OG VAL 246.A O no hydrogen 3.242 N/A VAL 246.A N ASP 432.A O no hydrogen 3.231 N/A LEU 247.A N THR 389.A O no hydrogen 2.677 N/A GLU 248.A N THR 389.A OG1 no hydrogen 2.934 N/A ARG 249.A NH2 ASP 251.A OD1 no hydrogen 3.343 N/A ARG 249.A NH2 ASP 251.A OD2 no hydrogen 3.346 N/A GLU 250.A N THR 387.A O no hydrogen 3.056 N/A LYS 252.A N SER 385.A O no hydrogen 2.776 N/A THR 254.A N TYR 383.A O no hydrogen 3.344 N/A THR 254.A OG1 THR 255.A O no hydrogen 3.442 N/A SER 256.A N ALA 381.A O no hydrogen 3.148 N/A ILE 263.A N THR 266.A OG1 no hydrogen 2.804 N/A THR 264.A N THR 300.A O no hydrogen 3.054 N/A THR 264.A OG1 MET 298.A O no hydrogen 2.399 N/A THR 264.A OG1 THR 300.A O no hydrogen 3.288 N/A SER 265.A OG GLU 462.A OE1 no hydrogen 2.912 N/A SER 265.A OG GLU 462.A OE2 no hydrogen 2.893 N/A THR 266.A OG1 ILE 263.A O no hydrogen 2.976 N/A LEU 267.A N ILE 263.A O no hydrogen 2.935 N/A GLN 268.A N THR 264.A O no hydrogen 3.252 N/A GLN 269.A N SER 265.A O no hydrogen 3.297 N/A ALA 270.A N THR 266.A O no hydrogen 3.175 N/A ALA 271.A N LEU 267.A O no hydrogen 3.029 N/A SER 272.A N GLN 268.A O no hydrogen 3.133 N/A THR 273.A N GLN 269.A O no hydrogen 2.907 N/A THR 273.A OG1 GLN 269.A O no hydrogen 3.032 N/A ARG 274.A N ALA 270.A O no hydrogen 2.914 N/A ARG 274.A NH2 PRO 414.A O no hydrogen 3.214 N/A LEU 275.A N ALA 271.A O no hydrogen 2.991 N/A PHE 277.A N ALA 271.A O no hydrogen 2.856 N/A VAL 279.A N GLU 454.A OE1 no hydrogen 3.121 N/A LYS 281.A NZ ASP 361.A OD2 no hydrogen 2.850 N/A THR 282.A N GLY 278.A O no hydrogen 3.109 N/A THR 282.A OG1 GLY 278.A O no hydrogen 2.690 N/A MET 283.A N VAL 279.A O no hydrogen 3.150 N/A MET 284.A N LYS 280.A O no hydrogen 3.077 N/A MET 285.A N LYS 281.A O no hydrogen 2.930 N/A ALA 286.A N THR 282.A O no hydrogen 3.047 N/A GLN 287.A N MET 283.A O no hydrogen 3.043 N/A GLN 287.A NE2 GLU 291.A OE2 no hydrogen 2.864 N/A ARG 288.A N MET 284.A O no hydrogen 3.207 N/A LEU 289.A N MET 285.A O no hydrogen 2.930 N/A TYR 290.A N ALA 286.A O no hydrogen 2.906 N/A TYR 290.A OH ASP 89.A OD1 no hydrogen 2.954 N/A GLU 291.A N GLN 287.A O no hydrogen 2.884 N/A GLY 293.A N TYR 290.A O no hydrogen 2.936 N/A TYR 294.A N LEU 289.A O no hydrogen 2.838 N/A ILE 295.A N LEU 289.A O no hydrogen 3.309 N/A THR 296.A N ARG 344.A O no hydrogen 2.923 N/A THR 296.A OG1 ALA 342.A O no hydrogen 2.798 N/A THR 296.A OG1 ARG 344.A O no hydrogen 3.242 N/A TYR 297.A N ASN 118.A O no hydrogen 2.761 N/A TYR 297.A OH ASP 91.A OD1 no hydrogen 3.106 N/A ARG 299.A NH1 ASP 91.A OD2 no hydrogen 3.191 N/A ARG 299.A NH1 GLU 93.A OE1 no hydrogen 2.611 N/A THR 300.A N THR 264.A OG1 no hydrogen 2.789 N/A THR 300.A OG1 GLU 341.A O no hydrogen 3.062 N/A SER 302.A N THR 300.A OG1 no hydrogen 3.148 N/A SER 302.A OG HIS 340.A O no hydrogen 2.945 N/A THR 303.A OG1 TYR 333.A O no hydrogen 3.027 N/A THR 303.A OG1 ALA 334.A O no hydrogen 3.121 N/A ASN 304.A N SER 302.A OG no hydrogen 3.049 N/A ASN 304.A ND2 HIS 340.A O no hydrogen 3.642 N/A SER 306.A N GLU 341.A OE2 no hydrogen 3.304 N/A SER 306.A OG GLU 341.A OE2 no hydrogen 3.440 N/A ALA 309.A N SER 306.A OG no hydrogen 3.092 N/A VAL 310.A N SER 306.A O no hydrogen 2.973 N/A ASN 311.A N GLN 307.A O no hydrogen 2.837 N/A MET 312.A N ASP 308.A O no hydrogen 2.737 N/A VAL 313.A N ALA 309.A O no hydrogen 2.895 N/A ARG 314.A N VAL 310.A O no hydrogen 2.907 N/A ARG 314.A NH1 PRO 327.A O no hydrogen 3.112 N/A ARG 314.A NH2 PRO 327.A O no hydrogen 3.000 N/A GLY 315.A N ASN 311.A O no hydrogen 3.087 N/A TYR 316.A N MET 312.A O no hydrogen 3.190 N/A ILE 317.A N VAL 313.A O no hydrogen 2.938 N/A SER 318.A N ARG 314.A O no hydrogen 3.090 N/A ASP 319.A N GLY 315.A O no hydrogen 2.926 N/A ASN 320.A N TYR 316.A O no hydrogen 2.765 N/A ASN 320.A ND2 TYR 316.A O no hydrogen 2.751 N/A PHE 321.A N ILE 317.A O no hydrogen 2.783 N/A GLY 322.A N ILE 317.A O no hydrogen 3.195 N/A TYR 325.A OH ASP 407.A OD1 no hydrogen 2.338 N/A TYR 325.A OH ASP 407.A OD2 no hydrogen 3.014 N/A LEU 326.A N LYS 323.A O no hydrogen 3.395 N/A ASN 331.A N GLN 377.A OE1 no hydrogen 2.851 N/A ASN 331.A ND2 CYS 376.A O no hydrogen 3.320 N/A ASN 331.A ND2 MET 378.A O no hydrogen 3.242 N/A TYR 333.A OH CYS 376.A O no hydrogen 2.815 N/A SER 335.A OG GLU 338.A OE1 no hydrogen 3.517 N/A ALA 342.A N ASN 304.A O no hydrogen 3.086 N/A ILE 343.A N PHE 262.A O no hydrogen 2.785 N/A ARG 344.A N THR 296.A OG1 no hydrogen 2.817 N/A ARG 344.A NE GLU 341.A OE2 no hydrogen 2.444 N/A ARG 344.A NH1 GLU 119.A OE1 no hydrogen 3.563 N/A ARG 344.A NH1 GLU 119.A OE2 no hydrogen 3.397 N/A ARG 344.A NH1 GLU 341.A OE1 no hydrogen 3.295 N/A ARG 344.A NH1 GLU 341.A OE2 no hydrogen 2.776 N/A ARG 344.A NH2 GLU 119.A OE1 no hydrogen 3.137 N/A ARG 344.A NH2 PRO 345.A O no hydrogen 2.823 N/A SER 346.A N TYR 294.A O no hydrogen 2.732 N/A SER 346.A OG GLY 293.A O no hydrogen 2.548 N/A SER 346.A OG TYR 294.A O no hydrogen 2.797 N/A ASN 349.A N ASP 347.A OD1 no hydrogen 3.192 N/A VAL 350.A N ASP 347.A O no hydrogen 3.150 N/A GLU 353.A N GLU 353.A OE1 no hydrogen 2.719 N/A SER 354.A N MET 351.A O no hydrogen 3.100 N/A LEU 355.A N ALA 352.A O no hydrogen 3.263 N/A LYS 356.A N TYR 294.A OH no hydrogen 3.283 N/A ALA 362.A N GLU 359.A O no hydrogen 3.231 N/A GLN 363.A N GLU 359.A O no hydrogen 3.130 N/A GLN 363.A NE2 LEU 355.A O no hydrogen 3.541 N/A LYS 364.A N ALA 360.A O no hydrogen 3.090 N/A LEU 365.A N ASP 361.A O no hydrogen 3.219 N/A TYR 366.A N ALA 362.A O no hydrogen 3.080 N/A TYR 366.A OH VAL 350.A O no hydrogen 2.875 N/A GLN 367.A N GLN 363.A O no hydrogen 3.014 N/A LEU 368.A N LYS 364.A O no hydrogen 3.068 N/A ILE 369.A N LEU 365.A O no hydrogen 2.824 N/A TRP 370.A N TYR 366.A O no hydrogen 2.634 N/A TRP 370.A NE1 VAL 348.A O no hydrogen 2.989 N/A ARG 371.A N GLN 367.A O no hydrogen 2.928 N/A GLN 372.A N LEU 368.A O no hydrogen 3.184 N/A PHE 373.A N ILE 369.A O no hydrogen 3.042 N/A VAL 374.A N TRP 370.A O no hydrogen 2.968 N/A ALA 375.A N ARG 371.A O no hydrogen 2.962 N/A CYS 376.A N GLN 372.A O no hydrogen 3.001 N/A CYS 376.A SG PHE 373.A O no hydrogen 3.098 N/A GLN 377.A N VAL 374.A O no hydrogen 3.273 N/A GLN 377.A NE2 ASN 331.A O no hydrogen 3.012 N/A MET 378.A N ALA 375.A O no hydrogen 3.072 N/A THR 379.A N TYR 325.A O no hydrogen 3.195 N/A THR 379.A OG1 LYS 324.A O no hydrogen 2.903 N/A ALA 381.A N SER 256.A O no hydrogen 3.190 N/A LYS 382.A N PHE 406.A O no hydrogen 2.855 N/A TYR 383.A N THR 254.A O no hydrogen 2.878 N/A ASP 384.A N ILE 403.A O no hydrogen 2.799 N/A SER 385.A N LYS 252.A O no hydrogen 2.995 N/A THR 386.A N GLY 401.A O no hydrogen 2.751 N/A THR 387.A N GLU 250.A O no hydrogen 2.999 N/A LEU 388.A N ALA 399.A O no hydrogen 2.642 N/A THR 389.A N GLU 248.A O no hydrogen 3.159 N/A THR 389.A OG1 GLU 248.A O no hydrogen 3.329 N/A VAL 390.A N LEU 397.A O no hydrogen 2.680 N/A GLY 391.A N SER 245.A O no hydrogen 2.884 N/A ALA 392.A N PHE 395.A O no hydrogen 3.303 N/A PHE 395.A N ALA 392.A O no hydrogen 3.162 N/A ARG 396.A N HIS 218.A O no hydrogen 3.093 N/A LEU 397.A N VAL 390.A O no hydrogen 2.379 N/A LYS 398.A N GLN 215.A O no hydrogen 2.828 N/A ALA 399.A N LEU 388.A O no hydrogen 2.868 N/A GLY 401.A N THR 386.A O no hydrogen 2.880 N/A ARG 402.A N ARG 423.A O no hydrogen 3.161 N/A ILE 403.A N ASP 384.A O no hydrogen 3.056 N/A ARG 405.A N LYS 382.A O no hydrogen 2.991 N/A ARG 405.A NE ASP 384.A OD2 no hydrogen 2.963 N/A ARG 405.A NH2 ASP 384.A OD2 no hydrogen 2.966 N/A PHE 406.A N LYS 382.A O no hydrogen 3.173 N/A TRP 409.A N THR 379.A O no hydrogen 2.943 N/A TRP 409.A NE1 SER 256.A O no hydrogen 2.569 N/A THR 410.A N ASP 407.A O no hydrogen 3.029 N/A THR 410.A OG1 ASP 407.A O no hydrogen 2.359 N/A LYS 411.A N GLY 408.A O no hydrogen 3.100 N/A LYS 411.A NZ TYR 325.A OH no hydrogen 3.094 N/A VAL 412.A N TRP 409.A O no hydrogen 3.309 N/A MET 413.A N TRP 409.A O no hydrogen 3.379 N/A ASN 429.A N ASP 432.A OD2 no hydrogen 2.351 N/A ASP 432.A N ASN 429.A O no hydrogen 2.871 N/A LEU 434.A N TYR 244.A O no hydrogen 2.956 N/A THR 435.A N THR 205.A O no hydrogen 3.128 N/A VAL 437.A N SER 203.A O no hydrogen 3.165 N/A GLU 438.A N SER 203.A O no hydrogen 3.016 N/A THR 440.A N ASP 201.A O no hydrogen 2.530 N/A ALA 442.A N GLU 199.A O no hydrogen 2.606 N/A GLN 443.A NE2 GLU 196.A OE2 no hydrogen 2.621 N/A HIS 444.A N PHE 197.A O no hydrogen 2.774 N/A THR 446.A N GLU 195.A O no hydrogen 3.039 N/A ARG 451.A N GLU 627.A OE1 no hydrogen 3.241 N/A ARG 451.A NH1 GLU 186.A OE1 no hydrogen 2.437 N/A ARG 451.A NH1 GLU 186.A OE2 no hydrogen 3.261 N/A ARG 451.A NH1 PHE 492.A O no hydrogen 3.183 N/A ARG 451.A NH2 GLU 186.A OE2 no hydrogen 2.897 N/A SER 453.A N SER 456.A OG no hydrogen 2.509 N/A SER 453.A OG SER 456.A OG no hydrogen 3.040 N/A ALA 455.A N SER 453.A OG no hydrogen 3.206 N/A SER 456.A N SER 453.A OG no hydrogen 2.791 N/A SER 456.A OG SER 453.A O no hydrogen 3.339 N/A SER 456.A OG SER 453.A OG no hydrogen 3.040 N/A LEU 457.A N SER 453.A O no hydrogen 3.141 N/A LYS 459.A N ALA 455.A O no hydrogen 2.872 N/A GLU 460.A N SER 456.A O no hydrogen 3.130 N/A GLU 460.A N LEU 457.A O no hydrogen 2.976 N/A LEU 461.A N LEU 457.A O no hydrogen 2.786 N/A GLU 462.A N VAL 458.A O no hydrogen 2.882 N/A LYS 463.A N LYS 459.A O no hydrogen 3.260 N/A ARG 464.A N GLU 460.A O no hydrogen 3.112 N/A ARG 464.A NE GLU 460.A OE1 no hydrogen 2.730 N/A GLY 465.A N GLU 462.A O no hydrogen 3.220 N/A ILE 466.A N LEU 461.A O no hydrogen 2.659 N/A ARG 468.A N THR 471.A OG1 no hydrogen 2.927 N/A ARG 468.A NH1 GLY 465.A O no hydrogen 3.569 N/A ARG 468.A NH1 GLY 467.A O no hydrogen 3.405 N/A ARG 468.A NH2 ASN 523.A OD1 no hydrogen 3.497 N/A ARG 468.A NH2 ASP 526.A OD2 no hydrogen 3.184 N/A SER 470.A OG ASP 91.A OD2 no hydrogen 3.099 N/A THR 471.A N ARG 468.A O no hydrogen 2.753 N/A THR 471.A OG1 ARG 468.A O no hydrogen 3.118 N/A SER 474.A OG THR 471.A O no hydrogen 2.802 N/A ILE 475.A N THR 471.A O no hydrogen 3.031 N/A ILE 476.A N TYR 472.A O no hydrogen 3.315 N/A SER 477.A N ALA 473.A O no hydrogen 3.049 N/A THR 478.A N SER 474.A O no hydrogen 2.864 N/A THR 478.A N ILE 475.A O no hydrogen 3.226 N/A THR 478.A OG1 SER 474.A O no hydrogen 2.372 N/A THR 478.A OG1 ILE 475.A O no hydrogen 3.403 N/A ILE 479.A N ILE 475.A O no hydrogen 3.192 N/A GLN 480.A NE2 GLU 454.A OE2 no hydrogen 2.996 N/A GLN 480.A NE2 ILE 476.A O no hydrogen 3.069 N/A TYR 484.A OH SER 170.A O no hydrogen 2.279 N/A ARG 486.A N TYR 493.A O no hydrogen 2.832 N/A ARG 486.A NE GLU 488.A OE1 no hydrogen 3.157 N/A ARG 486.A NH1 GLU 495.A OE2 no hydrogen 2.548 N/A ARG 486.A NH2 GLU 488.A OE1 no hydrogen 3.192 N/A GLU 488.A N ARG 491.A O no hydrogen 3.047 N/A ARG 490.A NH1 SER 272.A OG no hydrogen 3.032 N/A ARG 490.A NH2 SER 272.A O no hydrogen 3.194 N/A ARG 491.A N GLU 488.A O no hydrogen 3.174 N/A ARG 491.A NH1 ARG 490.A O no hydrogen 2.751 N/A PHE 492.A N PHE 452.A O no hydrogen 2.755 N/A TYR 493.A N ARG 486.A O no hydrogen 2.706 N/A ALA 494.A N GLU 186.A OE1 no hydrogen 3.212 N/A GLU 495.A N TYR 484.A O no hydrogen 2.810 N/A GLU 499.A N GLU 495.A O no hydrogen 3.203 N/A ILE 500.A N LYS 496.A O no hydrogen 2.948 N/A VAL 501.A N MET 497.A O no hydrogen 3.079 N/A THR 502.A N GLY 498.A O no hydrogen 2.943 N/A THR 502.A OG1 GLY 498.A O no hydrogen 2.687 N/A ASP 503.A N GLU 499.A O no hydrogen 3.068 N/A ARG 504.A N ILE 500.A O no hydrogen 2.883 N/A ARG 504.A NE ARG 563.A O no hydrogen 3.003 N/A ARG 504.A NH1 PRO 564.A O no hydrogen 3.247 N/A LEU 505.A N VAL 501.A O no hydrogen 2.783 N/A GLU 506.A N THR 502.A O no hydrogen 3.027 N/A GLU 507.A N ARG 504.A O no hydrogen 2.934 N/A ASN 508.A N ARG 504.A O no hydrogen 3.184 N/A ASN 508.A ND2 GLY 560.A O no hydrogen 3.315 N/A PHE 509.A N LEU 505.A O no hydrogen 2.722 N/A MET 513.A N PHE 509.A O no hydrogen 3.055 N/A ASN 514.A N GLU 511.A O no hydrogen 3.237 N/A TYR 515.A OH GLU 184.A OE1 no hydrogen 2.937 N/A TYR 515.A OH GLU 184.A OE2 no hydrogen 3.059 N/A THR 518.A N ASN 514.A O no hydrogen 3.034 N/A THR 518.A OG1 ASN 514.A O no hydrogen 2.393 N/A ALA 519.A N TYR 515.A O no hydrogen 2.843 N/A GLN 520.A N ASP 516.A O no hydrogen 2.793 N/A MET 521.A N PHE 517.A O no hydrogen 2.987 N/A GLU 522.A N ALA 519.A O no hydrogen 3.104 N/A ASN 523.A N ALA 519.A O no hydrogen 3.260 N/A SER 524.A N GLN 520.A O no hydrogen 2.952 N/A SER 524.A OG GLN 520.A O no hydrogen 3.185 N/A LEU 525.A N MET 521.A O no hydrogen 3.273 N/A ASP 526.A N GLU 522.A O no hydrogen 3.129 N/A GLN 527.A N ASN 523.A O no hydrogen 2.840 N/A VAL 528.A N SER 524.A O no hydrogen 3.012 N/A ALA 529.A N LEU 525.A O no hydrogen 2.909 N/A HIS 531.A N VAL 528.A O no hydrogen 3.322 N/A HIS 531.A ND1 ASP 138.A OD1 no hydrogen 3.310 N/A HIS 531.A ND1 ASP 138.A OD2 no hydrogen 3.104 N/A GLU 532.A N GLN 527.A O no hydrogen 2.704 N/A LYS 536.A NZ ASN 56.A O no hydrogen 2.899 N/A LYS 536.A NZ ASN 56.A OD1 no hydrogen 2.929 N/A ALA 537.A N GLU 534.A OE2 no hydrogen 2.617 N/A VAL 538.A N GLU 534.A O no hydrogen 3.185 N/A LEU 539.A N TRP 535.A O no hydrogen 3.033 N/A ASP 540.A N LYS 536.A O no hydrogen 3.075 N/A HIS 541.A N.A ALA 537.A O no hydrogen 3.086 N/A HIS 541.A N.B ALA 537.A O no hydrogen 3.084 N/A PHE 542.A N VAL 538.A O no hydrogen 2.978 N/A PHE 543.A N LEU 539.A O no hydrogen 2.705 N/A SER 544.A N ASP 540.A O no hydrogen 3.047 N/A ASP 545.A N HIS 541.A O.A no hydrogen 3.420 N/A ASP 545.A N HIS 541.A O.B no hydrogen 3.428 N/A PHE 546.A N PHE 542.A O no hydrogen 2.939 N/A THR 547.A N PHE 543.A O no hydrogen 3.154 N/A THR 547.A OG1 PHE 543.A O no hydrogen 3.221 N/A THR 547.A OG1 SER 544.A O no hydrogen 3.165 N/A GLN 548.A N SER 544.A O no hydrogen 3.400 N/A GLN 549.A N ASP 545.A O no hydrogen 3.406 N/A GLN 549.A NE2 ASP 545.A O no hydrogen 2.853 N/A LEU 550.A N PHE 546.A O no hydrogen 2.749 N/A ASP 551.A N THR 547.A O no hydrogen 2.722 N/A ALA 553.A N GLN 549.A O no hydrogen 3.259 N/A GLU 554.A N LEU 550.A O no hydrogen 2.908 N/A GLU 558.A N GLU 558.A OE1 no hydrogen 2.802 N/A GLU 559.A N ASP 556.A O no hydrogen 2.880 N/A GLY 561.A N ASP 556.A O no hydrogen 3.057 N/A MET 562.A N ALA 553.A O no hydrogen 3.247 N/A ASN 565.A ND2 ILE 165.A O no hydrogen 3.642 N/A ASN 565.A ND2 THR 585.A O no hydrogen 3.180 N/A THR 570.A N MET 581.A O no hydrogen 2.547 N/A THR 570.A OG1 MET 581.A O no hydrogen 2.788 N/A ILE 572.A N THR 570.A OG1 no hydrogen 3.407 N/A CYS 574.A N ARG 579.A O no hydrogen 2.896 N/A CYS 574.A SG THR 607.A OG1 no hydrogen 3.096 N/A MET 581.A N ILE 572.A O no hydrogen 2.685 N/A GLY 582.A N GLY 593.A O no hydrogen 2.949 N/A ILE 583.A N VAL 568.A O no hydrogen 2.754 N/A ARG 584.A N PHE 591.A O no hydrogen 3.081 N/A ALA 586.A N GLY 589.A O no hydrogen 2.604 N/A PHE 591.A N ARG 584.A O no hydrogen 3.008 N/A LEU 592.A N ILE 609.A O no hydrogen 2.825 N/A GLY 593.A N GLY 582.A O no hydrogen 3.055 N/A CYS 594.A N THR 607.A O no hydrogen 3.518 N/A SER 595.A N LYS 580.A O no hydrogen 3.384 N/A SER 595.A OG LYS 580.A O no hydrogen 2.915 N/A TYR 597.A N SER 595.A O no hydrogen 2.655 N/A GLU 603.A N PRO 600.A O no hydrogen 2.858 N/A CYS 605.A N GLY 596.A O no hydrogen 2.306 N/A CYS 605.A SG THR 607.A OG1 no hydrogen 2.832 N/A ILE 609.A N LEU 592.A O no hydrogen 2.711 N/A VAL 612.A N LEU 648.A O no hydrogen 3.417 N/A GLU 614.A N SER 646.A O no hydrogen 3.113 N/A LEU 621.A N LEU 618.A O no hydrogen 2.628 N/A ALA 626.A N GLY 623.A O no hydrogen 3.386 N/A ASN 629.A N ASP 625.A O no hydrogen 2.824 N/A ALA 630.A N ALA 626.A O no hydrogen 3.045 N/A LEU 631.A N GLU 627.A O no hydrogen 3.298 N/A LEU 631.A N THR 628.A O no hydrogen 3.090 N/A ARG 632.A N THR 628.A O no hydrogen 3.155 N/A LYS 634.A N LEU 631.A O no hydrogen 2.983 N/A LYS 634.A NZ ASP 645.A OD1 no hydrogen 3.119 N/A ARG 635.A NH2 GLU 668.A OE1 no hydrogen 2.736 N/A ARG 636.A NE GLY 641.A O no hydrogen 2.686 N/A ARG 636.A NH1 LYS 190.A O no hydrogen 2.990 N/A ARG 636.A NH1 PHE 192.A O no hydrogen 2.959 N/A ARG 636.A NH1 GLY 641.A O no hydrogen 2.874 N/A ARG 636.A NH2 PHE 192.A O no hydrogen 3.125 N/A CYS 637.A N THR 642.A O no hydrogen 2.762 N/A CYS 640.A SG THR 642.A OG1 no hydrogen 3.013 N/A GLY 641.A N CYS 637.A O no hydrogen 2.794 N/A ALA 643.A N LYS 190.A O no hydrogen 2.999 N/A MET 644.A N ARG 635.A O no hydrogen 2.788 N/A ASP 645.A N VAL 657.A O no hydrogen 2.576 N/A TYR 647.A N LEU 655.A O no hydrogen 2.732 N/A LEU 648.A N VAL 612.A O no hydrogen 2.833 N/A LYS 652.A N ASP 650.A OD1 no hydrogen 2.770 N/A ARG 653.A N ASP 650.A O no hydrogen 3.212 N/A ARG 653.A N ASP 650.A OD1 no hydrogen 2.819 N/A ARG 653.A NE ASP 650.A OD2 no hydrogen 2.644 N/A ARG 653.A NH2 ASP 650.A OD2 no hydrogen 3.278 N/A LEU 655.A N TYR 647.A O no hydrogen 2.825 N/A HIS 656.A N GLU 668.A O no hydrogen 2.825 N/A HIS 656.A NE2 GLU 670.A OE1 no hydrogen 2.935 N/A VAL 657.A N ASP 645.A O no hydrogen 2.758 N/A CYS 658.A N GLY 666.A O no hydrogen 3.292 N/A ASN 661.A N CYS 658.A O no hydrogen 3.225 N/A CYS 664.A N ASN 660.A O no hydrogen 2.977 N/A GLU 668.A N HIS 656.A O no hydrogen 2.851 N/A GLU 670.A N LYS 654.A O no hydrogen 2.764 N/A GLY 672.A N LYS 652.A O no hydrogen 2.844 N/A PHE 674.A N PRO 651.A O no hydrogen 3.022 N/A TYR 679.A N ILE 676.A O no hydrogen 3.246 N/A GLY 681.A N GLY 678.A O no hydrogen 3.327 N/A VAL 684.A N MET 693.A O no hydrogen 3.266 N/A CYS 686.A N SER 691.A O no hydrogen 2.978 N/A CYS 689.A SG SER 691.A OG no hydrogen 2.515 N/A MET 693.A N VAL 684.A O no hydrogen 2.673 N/A HIS 694.A N ALA 705.A O no hydrogen 3.014 N/A HIS 694.A NE2 GLU 692.A OE1 no hydrogen 3.194 N/A LYS 696.A N TYR 703.A O no hydrogen 2.907 N/A TYR 703.A N LYS 696.A O no hydrogen 2.934 N/A MET 704.A N ARG 715.A O no hydrogen 2.773 N/A ALA 705.A N HIS 694.A O no hydrogen 3.043 N/A CYS 706.A SG SER 691.A OG no hydrogen 3.091 N/A CYS 706.A SG GLU 692.A O no hydrogen 3.814 N/A THR 707.A N GLU 692.A O no hydrogen 2.938 N/A GLU 710.A N ASN 708.A O no hydrogen 2.703 N/A CYS 711.A N ASN 708.A O no hydrogen 3.403 N/A ARG 715.A N MET 704.A O no hydrogen 3.116 N/A ARG 715.A NE ALA 724.A O no hydrogen 3.535 N/A ARG 715.A NH1 GLU 685.A O no hydrogen 3.262 N/A ILE 717.A N LYS 702.A O no hydrogen 3.142 N/A LEU 718.A N GLU 722.A O no hydrogen 2.989 N/A GLU 722.A N ARG 719.A O no hydrogen 3.459 N/A ALA 724.A N LYS 716.A O no hydrogen 2.978 N/A LYS 727.A N PRO 725.A O no hydrogen 2.414 N/A VAL 731.A N LEU 747.A O no hydrogen 3.093 N/A CYS 738.A N ALA 743.A O no hydrogen 3.084 N/A CYS 738.A SG ALA 743.A O no hydrogen 3.188 N/A CYS 738.A SG TYR 744.A O no hydrogen 3.552 N/A GLU 739.A N GLU 766.A OE2 no hydrogen 2.853 N/A PHE 745.A N LEU 736.A O no hydrogen 3.046 N/A VAL 746.A N ALA 757.A O no hydrogen 2.412 N/A LEU 747.A N VAL 731.A O no hydrogen 2.561 N/A ARG 748.A N PHE 755.A O no hydrogen 2.871 N/A GLY 750.A N GLY 753.A O no hydrogen 2.630 N/A GLY 753.A N GLY 750.A O no hydrogen 3.032 N/A VAL 754.A N GLN 804.A OE1 no hydrogen 2.410 N/A PHE 755.A N ARG 748.A O no hydrogen 2.833 N/A ALA 757.A N VAL 746.A O no hydrogen 2.554 N/A LYS 763.A N THR 760.A O no hydrogen 2.683 N/A ARG 768.A N LEU 756.A O no hydrogen 3.029 N/A VAL 772.A N THR 793.A O no hydrogen 3.443 N/A GLU 774.A N LEU 771.A O no hydrogen 2.726 N/A ARG 778.A N PHE 775.A O no hydrogen 3.098 N/A LEU 779.A N ARG 776.A O no hydrogen 3.221 N/A LEU 783.A N PRO 780.A O no hydrogen 3.350 N/A ARG 784.A NE ARG 776.A O no hydrogen 3.313 N/A ARG 784.A NH2 ASP 777.A O no hydrogen 3.532 N/A ALA 789.A N LEU 786.A O no hydrogen 3.357 N/A MET 794.A N SER 807.A O no hydrogen 2.733 N/A VAL 795.A N PRO 770.A O no hydrogen 3.068 N/A ARG 796.A N TYR 805.A O no hydrogen 2.632 N/A ARG 796.A NE SER 807.A OG no hydrogen 2.812 N/A LYS 802.A N SER 798.A O no hydrogen 2.855 N/A GLN 803.A N THR 801.A OG1 no hydrogen 3.141 N/A GLN 804.A NE2 TYR 785.A OH no hydrogen 2.502 N/A SER 807.A N MET 794.A O no hydrogen 3.024 N/A SER 808.A N TRP 812.A O no hydrogen 3.160 N/A ALA 814.A N VAL 806.A O no hydrogen 3.246 N/A PHE 815.A N VAL 822.A O no hydrogen 3.426 N/A VAL 817.A N LYS 820.A O no hydrogen 3.020 N/A VAL 822.A N PHE 815.A O no hydrogen 3.150 N/A