Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7umh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N ALA 172.A O no hydrogen 2.775 N/A ASN 7.A N VAL 170.A O no hydrogen 2.585 N/A TRP 16.A N PHE 13.A O no hydrogen 3.209 N/A GLY 17.A N PHE 13.A O no hydrogen 3.462 N/A HIS 21.A ND1 LYS 18.A O no hydrogen 2.980 N/A LEU 26.A N ASP 23.A O no hydrogen 3.345 N/A THR 33.A N GLN 702.A O no hydrogen 2.945 N/A THR 33.A OG1 ARG 704.A O no hydrogen 3.315 N/A THR 34.A N THR 32.A OG1 no hydrogen 3.274 N/A TRP 35.A N THR 32.A O no hydrogen 3.432 N/A TRP 35.A NE1 LEU 26.A O no hydrogen 2.819 N/A ASN 38.A N THR 34.A O no hydrogen 2.828 N/A LEU 39.A N TRP 35.A O no hydrogen 2.910 N/A HIS 40.A N TRP 37.A O no hydrogen 3.220 N/A HIS 40.A ND1 ILE 36.A O no hydrogen 2.603 N/A ALA 41.A N TRP 37.A O no hydrogen 3.096 N/A ASN 42.A N ASN 38.A O no hydrogen 3.228 N/A GLN 49.A N ASP 45.A O no hydrogen 3.049 N/A GLN 49.A NE2 ASN 42.A O no hydrogen 2.619 N/A GLN 49.A NE2 ALA 43.A O no hydrogen 2.720 N/A THR 50.A N PHE 46.A O no hydrogen 2.968 N/A GLU 54.A N ASP 52.A OD1 no hydrogen 3.399 N/A VAL 56.A N ASP 52.A O no hydrogen 3.096 N/A SER 57.A N LEU 53.A O no hydrogen 2.948 N/A SER 57.A OG LEU 53.A O no hydrogen 2.990 N/A ARG 58.A N GLU 54.A O no hydrogen 3.060 N/A ARG 58.A NE PRO 173.A O no hydrogen 2.626 N/A ARG 58.A NH1 ASP 55.A OD1 no hydrogen 3.230 N/A ARG 58.A NH2 ASP 5.A OD2 no hydrogen 2.548 N/A ARG 58.A NH2 PRO 173.A O no hydrogen 3.393 N/A LYS 59.A N ASP 55.A O no hydrogen 3.120 N/A LYS 59.A NZ TYR 168.A OH no hydrogen 2.963 N/A ILE 60.A N VAL 56.A O no hydrogen 3.056 N/A PHE 61.A N SER 57.A O no hydrogen 3.116 N/A SER 62.A N ARG 58.A O no hydrogen 3.365 N/A SER 62.A OG GLY 164.A O no hydrogen 2.940 N/A ALA 63.A N LYS 59.A O no hydrogen 3.072 N/A HIS 64.A N ILE 60.A O no hydrogen 3.210 N/A GLY 66.A N SER 62.A O no hydrogen 3.121 N/A HIS 67.A N ALA 63.A O no hydrogen 2.848 N/A LEU 68.A N HIS 64.A O no hydrogen 2.577 N/A ALA 69.A N PHE 65.A O no hydrogen 2.965 N/A VAL 70.A N GLY 66.A O no hydrogen 3.129 N/A VAL 71.A N HIS 67.A O no hydrogen 3.101 N/A PHE 72.A N LEU 68.A O no hydrogen 2.824 N/A VAL 73.A N ALA 69.A O no hydrogen 3.097 N/A TRP 74.A N VAL 70.A O no hydrogen 2.928 N/A LEU 75.A N VAL 71.A O no hydrogen 2.620 N/A SER 76.A N PHE 72.A O no hydrogen 2.584 N/A SER 76.A OG ALA 150.A O no hydrogen 2.435 N/A GLY 77.A N VAL 73.A O no hydrogen 2.845 N/A MET 78.A N TRP 74.A O no hydrogen 3.102 N/A TYR 79.A N LEU 75.A O no hydrogen 3.161 N/A PHE 80.A N SER 76.A O no hydrogen 2.777 N/A HIS 81.A N GLY 77.A O no hydrogen 2.993 N/A HIS 81.A ND1 GLY 77.A O no hydrogen 2.625 N/A GLY 82.A N MET 78.A O no hydrogen 3.077 N/A ALA 83.A N PHE 80.A O no hydrogen 3.163 N/A LYS 84.A N PHE 80.A O no hydrogen 2.857 N/A PHE 85.A N HIS 81.A O no hydrogen 3.112 N/A SER 86.A OG GLY 82.A O no hydrogen 2.433 N/A ASN 87.A N SER 101.A O no hydrogen 3.246 N/A ASN 87.A ND2 LYS 99.A O no hydrogen 3.037 N/A TYR 88.A OH PHE 140.A O no hydrogen 2.634 N/A TRP 91.A N ASN 87.A O no hydrogen 2.695 N/A LEU 92.A N TYR 88.A O no hydrogen 2.914 N/A ILE 98.A N ASP 94.A O no hydrogen 3.147 N/A LYS 99.A N VAL 118.A O no hydrogen 2.713 N/A SER 101.A N ASN 87.A OD1 no hydrogen 3.063 N/A SER 101.A OG ILE 125.A O no hydrogen 2.901 N/A VAL 105.A N ASN 115.A OD1 no hydrogen 3.126 N/A GLN 111.A N ILE 108.A O no hydrogen 2.821 N/A GLN 111.A NE2 TRP 106.A O no hydrogen 2.803 N/A ILE 113.A N GLY 110.A O no hydrogen 3.331 N/A LEU 114.A N GLN 111.A O no hydrogen 3.112 N/A ASN 115.A N GLY 112.A O no hydrogen 3.295 N/A ASN 115.A ND2 VAL 105.A O no hydrogen 3.087 N/A GLY 116.A N LEU 114.A O no hydrogen 2.854 N/A VAL 118.A N PHE 122.A O no hydrogen 3.476 N/A GLY 119.A N ASP 117.A OD1 no hydrogen 3.360 N/A ILE 125.A N GLN 103.A O no hydrogen 2.505 N/A ILE 127.A N PRO 100.A O no hydrogen 2.988 N/A THR 128.A OG1 SER 376.A OG no hydrogen 3.295 N/A TYR 133.A OH ASP 370.A OD2 no hydrogen 2.567 N/A LEU 134.A N GLY 130.A O no hydrogen 2.983 N/A TRP 135.A N LEU 131.A O no hydrogen 2.842 N/A ARG 136.A N PHE 132.A O no hydrogen 3.033 N/A ARG 136.A NH1 ASP 216.A OD1 no hydrogen 3.317 N/A ARG 136.A NH2 ASP 216.A OD1 no hydrogen 3.019 N/A ALA 137.A N TYR 133.A O no hydrogen 3.252 N/A SER 138.A N LEU 134.A O no hydrogen 2.976 N/A SER 138.A N TRP 135.A O no hydrogen 3.189 N/A SER 138.A OG LEU 134.A O no hydrogen 3.047 N/A GLY 139.A N ARG 136.A O no hydrogen 3.314 N/A PHE 140.A N TRP 135.A O no hydrogen 2.800 N/A THR 141.A N GLN 145.A OE1 no hydrogen 2.749 N/A SER 143.A N GLU 89.A OE2 no hydrogen 3.247 N/A SER 143.A OG ALA 83.A O no hydrogen 3.284 N/A TYR 147.A N SER 143.A O no hydrogen 3.076 N/A CYS 148.A N TYR 144.A O no hydrogen 2.945 N/A CYS 148.A SG TYR 144.A O no hydrogen 3.623 N/A THR 149.A N GLN 145.A O no hydrogen 3.281 N/A THR 149.A OG1 GLN 145.A O no hydrogen 2.891 N/A ALA 150.A N LEU 146.A O no hydrogen 3.086 N/A ILE 151.A N TYR 147.A O no hydrogen 2.882 N/A GLY 152.A N CYS 148.A O no hydrogen 2.998 N/A GLY 153.A N THR 149.A O no hydrogen 2.738 N/A LEU 154.A N ALA 150.A O no hydrogen 3.193 N/A VAL 155.A N ILE 151.A O no hydrogen 2.894 N/A MET 156.A N GLY 152.A O no hydrogen 2.884 N/A ALA 157.A N GLY 153.A O no hydrogen 2.967 N/A ALA 158.A N LEU 154.A O no hydrogen 3.058 N/A LEU 159.A N VAL 155.A O no hydrogen 2.904 N/A MET 160.A N MET 156.A O no hydrogen 2.767 N/A LEU 161.A N ALA 157.A O no hydrogen 2.781 N/A PHE 162.A N ALA 158.A O no hydrogen 2.812 N/A ALA 163.A N LEU 159.A O no hydrogen 2.922 N/A GLY 164.A N MET 160.A O no hydrogen 3.152 N/A TRP 165.A N LEU 161.A O no hydrogen 3.215 N/A TRP 165.A NE1 THR 11.A OG1 no hydrogen 2.857 N/A PHE 166.A N PHE 162.A O no hydrogen 2.817 N/A HIS 167.A N ALA 163.A O no hydrogen 2.973 N/A HIS 167.A ND1 LYS 171.A O no hydrogen 3.058 N/A HIS 169.A N TRP 165.A O no hydrogen 2.969 N/A HIS 169.A ND1 VAL 9.A O no hydrogen 2.978 N/A VAL 170.A N PHE 166.A O no hydrogen 3.150 N/A LYS 171.A N PHE 166.A O no hydrogen 2.761 N/A ALA 172.A N ASP 5.A O no hydrogen 3.234 N/A LYS 174.A N SER 3.A O no hydrogen 2.826 N/A LEU 175.A N GLU 54.A OE1 no hydrogen 2.655 N/A TRP 177.A N LYS 174.A O no hydrogen 3.197 N/A PHE 178.A N LYS 174.A O no hydrogen 3.409 N/A GLN 179.A N LEU 175.A O no hydrogen 2.923 N/A GLN 179.A NE2 THR 333.A O no hydrogen 2.773 N/A VAL 181.A N GLN 179.A O no hydrogen 2.936 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 3.109 N/A MET 184.A N ASN 180.A O no hydrogen 3.212 N/A MET 185.A N VAL 181.A O no hydrogen 2.984 N/A ASN 186.A N GLU 182.A O no hydrogen 3.154 N/A ASN 186.A ND2 TYR 299.A O no hydrogen 2.910 N/A HIS 187.A N SER 183.A O no hydrogen 3.051 N/A HIS 187.A ND1 SER 183.A O no hydrogen 2.400 N/A HIS 188.A N MET 184.A O no hydrogen 2.977 N/A LEU 189.A N MET 185.A O no hydrogen 3.168 N/A ALA 190.A N ASN 186.A O no hydrogen 3.260 N/A GLY 191.A N HIS 187.A O no hydrogen 3.163 N/A LEU 192.A N HIS 187.A O no hydrogen 2.943 N/A LEU 193.A N HIS 188.A O no hydrogen 2.810 N/A GLY 196.A N LEU 192.A O no hydrogen 3.131 N/A SER 197.A N LEU 193.A O no hydrogen 3.028 N/A SER 197.A OG HIS 285.A O no hydrogen 2.581 N/A LEU 198.A N GLY 194.A O no hydrogen 2.878 N/A GLY 199.A N LEU 195.A O no hydrogen 2.694 N/A TRP 200.A N GLY 196.A O no hydrogen 3.072 N/A ALA 201.A N SER 197.A O no hydrogen 2.937 N/A GLY 202.A N LEU 198.A O no hydrogen 2.898 N/A HIS 203.A N GLY 199.A O no hydrogen 2.730 N/A HIS 203.A NE2 SER 138.A O no hydrogen 2.868 N/A GLN 204.A N TRP 200.A O no hydrogen 2.747 N/A ILE 205.A N ALA 201.A O no hydrogen 3.043 N/A HIS 206.A N GLY 202.A O no hydrogen 3.247 N/A VAL 207.A N HIS 203.A O no hydrogen 2.725 N/A SER 208.A N HIS 203.A O no hydrogen 3.186 N/A SER 208.A OG ALA 137.A O no hydrogen 2.768 N/A MET 209.A N GLN 204.A O no hydrogen 2.758 N/A ILE 211.A N VAL 207.A O no hydrogen 3.386 N/A ASN 212.A N SER 208.A O no hydrogen 2.987 N/A ASN 212.A ND2 ARG 136.A O no hydrogen 2.710 N/A ASN 212.A ND2 SER 208.A O no hydrogen 2.901 N/A LYS 213.A N MET 209.A O no hydrogen 3.037 N/A LEU 214.A N PRO 210.A O no hydrogen 3.330 N/A LEU 215.A N ILE 211.A O no hydrogen 2.852 N/A ASP 216.A N ASN 212.A O no hydrogen 2.898 N/A ALA 217.A N LYS 213.A O no hydrogen 3.106 N/A GLY 218.A N LEU 214.A O no hydrogen 3.308 N/A VAL 219.A N LEU 214.A O no hydrogen 3.122 N/A ASP 223.A N ALA 220.A O no hydrogen 2.934 N/A GLU 229.A N LEU 226.A O no hydrogen 3.079 N/A LEU 232.A N HIS 228.A O no hydrogen 2.624 N/A GLU 233.A N GLU 229.A O no hydrogen 2.868 N/A ALA 238.A N PRO 234.A O no hydrogen 2.911 N/A GLU 239.A N SER 235.A O no hydrogen 3.045 N/A LEU 240.A N LYS 236.A O no hydrogen 3.376 N/A TYR 241.A N MET 237.A O no hydrogen 2.869 N/A TYR 241.A OH MET 209.A O no hydrogen 2.814 N/A SER 243.A OG ASP 261.A OD1 no hydrogen 2.640 N/A SER 243.A OG ASP 261.A OD2 no hydrogen 2.907 N/A PHE 244.A N TYR 241.A O no hydrogen 3.370 N/A GLN 246.A N SER 243.A O no hydrogen 3.238 N/A GLY 247.A N PHE 244.A O no hydrogen 3.256 N/A PHE 251.A N LEU 248.A O no hydrogen 3.147 N/A PHE 252.A N LEU 248.A O no hydrogen 3.197 N/A THR 253.A N THR 249.A O no hydrogen 3.091 N/A THR 253.A OG1 THR 249.A O no hydrogen 2.554 N/A ASN 255.A N PRO 250.A O no hydrogen 2.862 N/A TRP 256.A NE1 PHE 251.A O no hydrogen 2.745 N/A VAL 258.A N ASN 255.A O no hydrogen 3.291 N/A TYR 259.A N TRP 256.A O no hydrogen 3.211 N/A TYR 259.A OH GLY 247.A O no hydrogen 2.522 N/A SER 260.A OG GLY 257.A O no hydrogen 2.969 N/A PHE 262.A N TYR 259.A O no hydrogen 3.284 N/A LEU 263.A N TYR 259.A O no hydrogen 2.806 N/A THR 264.A OG1 SER 279.A OG no hydrogen 2.891 N/A THR 264.A OG1 ASP 280.A OD1 no hydrogen 2.548 N/A LYS 266.A N ASP 280.A OD1 no hydrogen 2.737 N/A GLY 267.A N ASP 280.A OD2 no hydrogen 2.963 N/A GLY 268.A N THR 492.A O no hydrogen 2.685 N/A ASN 270.A N GLY 275.A O no hydrogen 2.774 N/A GLY 274.A N ASN 270.A O no hydrogen 2.698 N/A GLY 275.A N THR 273.A OG1 no hydrogen 3.244 N/A SER 279.A OG THR 264.A OG1 no hydrogen 2.891 N/A THR 281.A N TRP 277.A O no hydrogen 3.025 N/A THR 281.A OG1 LEU 278.A O no hydrogen 3.313 N/A ALA 282.A N LEU 278.A O no hydrogen 3.070 N/A HIS 283.A N SER 279.A O no hydrogen 3.259 N/A HIS 283.A ND1 THR 264.A O no hydrogen 3.274 N/A HIS 284.A N ASP 280.A O no hydrogen 2.589 N/A HIS 285.A N THR 281.A O no hydrogen 2.813 N/A HIS 285.A ND1 THR 281.A O no hydrogen 2.417 N/A LEU 286.A N ALA 282.A O no hydrogen 2.941 N/A ALA 287.A N HIS 283.A O no hydrogen 3.097 N/A ILE 288.A N HIS 284.A O no hydrogen 2.909 N/A ALA 289.A N HIS 285.A O no hydrogen 2.974 N/A VAL 290.A N LEU 286.A O no hydrogen 3.155 N/A LEU 291.A N ALA 287.A O no hydrogen 3.281 N/A PHE 292.A N ILE 288.A O no hydrogen 2.925 N/A ILE 293.A N ALA 289.A O no hydrogen 2.892 N/A ILE 294.A N VAL 290.A O no hydrogen 2.923 N/A ALA 295.A N LEU 291.A O no hydrogen 2.838 N/A GLY 296.A N PHE 292.A O no hydrogen 2.936 N/A GLY 296.A N ILE 293.A O no hydrogen 3.208 N/A HIS 297.A N ILE 294.A O no hydrogen 3.102 N/A HIS 297.A ND1 ILE 293.A O no hydrogen 2.464 N/A TYR 299.A N ASN 186.A OD1 no hydrogen 3.306 N/A ARG 300.A N HIS 307.A O no hydrogen 2.580 N/A ARG 300.A NE GLY 304.A O no hydrogen 3.030 N/A GLY 304.A N THR 301.A O no hydrogen 3.367 N/A ILE 305.A N TRP 303.A O no hydrogen 2.761 N/A HIS 307.A N MET 298.A O no hydrogen 2.633 N/A MET 309.A N GLU 182.A OE2 no hydrogen 3.109 N/A LYS 310.A NZ GLU 330.A OE2 no hydrogen 2.570 N/A ILE 312.A N SER 308.A O no hydrogen 3.139 N/A LEU 313.A N MET 309.A O no hydrogen 3.124 N/A GLU 314.A N LYS 310.A O no hydrogen 2.983 N/A ALA 315.A N GLU 311.A O no hydrogen 3.355 N/A HIS 316.A N LEU 313.A O no hydrogen 3.088 N/A HIS 316.A ND1 ILE 312.A O no hydrogen 2.381 N/A LYS 317.A NZ GLU 314.A O no hydrogen 2.917 N/A THR 321.A N GLY 318.A O no hydrogen 3.428 N/A GLU 323.A N ASN 411.A O no hydrogen 2.828 N/A GLY 324.A N THR 321.A O no hydrogen 3.069 N/A HIS 325.A ND1 HIS 316.A O no hydrogen 2.776 N/A LEU 328.A N HIS 325.A O no hydrogen 3.230 N/A TYR 329.A OH GLU 182.A OE1 no hydrogen 2.919 N/A TYR 329.A OH GLU 182.A OE2 no hydrogen 2.965 N/A ILE 331.A N GLY 327.A O no hydrogen 3.012 N/A LEU 332.A N LEU 328.A O no hydrogen 2.990 N/A THR 333.A N TYR 329.A O no hydrogen 3.139 N/A THR 333.A OG1 TYR 329.A O no hydrogen 2.843 N/A THR 334.A OG1 GLU 330.A O no hydrogen 2.955 N/A SER 335.A N ILE 331.A O no hydrogen 2.953 N/A SER 335.A OG ASP 403.A OD2 no hydrogen 3.069 N/A TRP 336.A NE1 SER 57.A OG no hydrogen 2.506 N/A HIS 337.A ND1 HIS 395.A ND1 no hydrogen 3.033 N/A ALA 338.A N SER 335.A OG no hydrogen 2.863 N/A GLN 339.A NE2 LEU 332.A O no hydrogen 2.765 N/A LEU 340.A N TRP 336.A O no hydrogen 2.987 N/A ALA 341.A N HIS 337.A O no hydrogen 3.030 N/A ILE 342.A N ALA 338.A O no hydrogen 3.367 N/A ASN 343.A N GLN 339.A O no hydrogen 2.993 N/A LEU 344.A N LEU 340.A O no hydrogen 2.819 N/A ALA 345.A N ALA 341.A O no hydrogen 3.295 N/A LEU 346.A N ILE 342.A O no hydrogen 3.080 N/A LEU 347.A N ASN 343.A O no hydrogen 2.877 N/A GLY 348.A N LEU 344.A O no hydrogen 3.060 N/A SER 349.A N ALA 345.A O no hydrogen 3.032 N/A SER 349.A OG ALA 345.A O no hydrogen 2.789 N/A LEU 350.A N LEU 346.A O no hydrogen 2.739 N/A THR 351.A N LEU 347.A O no hydrogen 2.938 N/A THR 351.A OG1 LEU 347.A O no hydrogen 2.522 N/A ILE 352.A N GLY 348.A O no hydrogen 3.335 N/A ILE 353.A N SER 349.A O no hydrogen 3.042 N/A VAL 354.A N LEU 350.A O no hydrogen 2.715 N/A ALA 355.A N THR 351.A O no hydrogen 3.083 N/A GLN 356.A N ILE 352.A O no hydrogen 2.965 N/A HIS 357.A N VAL 354.A O no hydrogen 3.326 N/A MET 358.A N VAL 354.A O no hydrogen 3.032 N/A MET 361.A N HIS 357.A O no hydrogen 2.989 N/A TYR 364.A N GLN 367.A OE1 no hydrogen 3.267 N/A TYR 366.A N THR 273.A O no hydrogen 2.985 N/A GLN 367.A N TYR 364.A O no hydrogen 3.455 N/A GLN 367.A NE2 MET 358.A O no hydrogen 3.123 N/A GLN 367.A NE2 GLN 374.A OE1 no hydrogen 2.773 N/A TYR 371.A OH VAL 508.A O no hydrogen 2.868 N/A TYR 371.A OH GLY 607.A O no hydrogen 3.136 N/A THR 373.A OG1 ASP 370.A OD2 no hydrogen 2.432 N/A GLN 374.A N ASP 370.A O no hydrogen 3.036 N/A GLN 374.A NE2 TYR 359.A O no hydrogen 2.960 N/A LEU 375.A N TYR 371.A O no hydrogen 3.056 N/A SER 376.A N ALA 372.A O no hydrogen 2.940 N/A SER 376.A OG ALA 372.A O no hydrogen 2.491 N/A LEU 377.A N THR 373.A O no hydrogen 2.881 N/A PHE 378.A N GLN 374.A O no hydrogen 3.385 N/A THR 379.A N LEU 375.A O no hydrogen 3.150 N/A THR 379.A OG1 LEU 375.A O no hydrogen 2.413 N/A HIS 380.A N SER 376.A O no hydrogen 2.794 N/A HIS 381.A N LEU 377.A O no hydrogen 3.329 N/A HIS 381.A ND1 LEU 377.A O no hydrogen 2.790 N/A MET 382.A N PHE 378.A O no hydrogen 2.837 N/A TRP 383.A N THR 379.A O no hydrogen 2.943 N/A ILE 384.A N HIS 380.A O no hydrogen 2.885 N/A GLY 385.A N HIS 381.A O no hydrogen 3.344 N/A GLY 386.A N MET 382.A O no hydrogen 2.892 N/A PHE 387.A N TRP 383.A O no hydrogen 3.143 N/A LEU 388.A N ILE 384.A O no hydrogen 3.307 N/A ILE 389.A N GLY 385.A O no hydrogen 3.315 N/A VAL 390.A N GLY 386.A O no hydrogen 3.281 N/A GLY 391.A N PHE 387.A O no hydrogen 2.934 N/A ALA 392.A N LEU 388.A O no hydrogen 3.164 N/A ALA 392.A N ILE 389.A O no hydrogen 3.155 N/A GLY 393.A N ILE 389.A O no hydrogen 3.420 N/A ALA 394.A N VAL 390.A O no hydrogen 2.969 N/A HIS 395.A N GLY 391.A O no hydrogen 2.966 N/A HIS 395.A ND1 HIS 337.A ND1 no hydrogen 3.033 N/A GLY 396.A N ALA 392.A O no hydrogen 2.902 N/A ILE 398.A N ALA 394.A O no hydrogen 2.934 N/A PHE 399.A N HIS 395.A O no hydrogen 3.155 N/A MET 400.A N GLY 396.A O no hydrogen 3.182 N/A VAL 401.A N ALA 397.A O no hydrogen 3.133 N/A ARG 402.A N ILE 398.A O no hydrogen 2.969 N/A ARG 402.A NH1 ASP 45.A OD1 no hydrogen 2.657 N/A ARG 402.A NH2 ASP 45.A OD1 no hydrogen 3.457 N/A ARG 402.A NH2 ASP 45.A OD2 no hydrogen 2.785 N/A ASP 403.A N PHE 399.A O no hydrogen 2.752 N/A ALA 407.A N ASP 405.A OD1 no hydrogen 3.509 N/A ASN 409.A ND2 ASP 405.A O no hydrogen 2.978 N/A ASN 411.A N ASP 415.A OD2 no hydrogen 2.750 N/A ASN 412.A ND2 LYS 326.A O no hydrogen 3.612 N/A ASN 412.A ND2 ASN 409.A OD1 no hydrogen 2.803 N/A LEU 413.A N GLY 324.A O no hydrogen 2.981 N/A ASP 415.A N ASN 412.A OD1 no hydrogen 3.128 N/A ARG 416.A N ASN 412.A O no hydrogen 2.981 N/A ARG 416.A NH1 ASN 411.A OD1 no hydrogen 3.056 N/A ARG 416.A NH2 PHE 320.A O no hydrogen 2.483 N/A MET 417.A N LEU 413.A O no hydrogen 3.023 N/A LEU 418.A N LEU 414.A O no hydrogen 3.129 N/A ARG 419.A N ASP 415.A O no hydrogen 3.023 N/A ARG 419.A N ARG 416.A O no hydrogen 3.235 N/A ARG 419.A NH1 ASN 411.A OD1 no hydrogen 2.523 N/A ARG 419.A NH1 ASP 415.A OD2 no hydrogen 3.404 N/A HIS 420.A N MET 417.A O no hydrogen 3.476 N/A HIS 420.A ND1 ARG 416.A O no hydrogen 2.433 N/A ARG 421.A NH1 LEU 542.A O no hydrogen 3.263 N/A ARG 421.A NH1 SER 546.A O no hydrogen 2.608 N/A ARG 421.A NH1 SER 546.A OG no hydrogen 3.336 N/A ILE 424.A N HIS 420.A O no hydrogen 2.998 N/A ILE 425.A N ARG 421.A O no hydrogen 2.961 N/A SER 426.A N ASP 422.A O no hydrogen 3.431 N/A SER 426.A OG ASP 422.A O no hydrogen 2.692 N/A HIS 427.A ND1 ALA 423.A O no hydrogen 2.438 N/A LEU 428.A N ILE 424.A O no hydrogen 2.926 N/A ASN 429.A N ILE 425.A O no hydrogen 2.453 N/A TRP 430.A N SER 426.A O no hydrogen 2.863 N/A VAL 431.A N HIS 427.A O no hydrogen 3.062 N/A CYS 432.A N LEU 428.A O no hydrogen 3.284 N/A CYS 432.A SG LEU 428.A O no hydrogen 3.176 N/A ILE 433.A N ASN 429.A O no hydrogen 3.250 N/A PHE 434.A N TRP 430.A O no hydrogen 2.833 N/A LEU 435.A N VAL 431.A O no hydrogen 2.879 N/A GLY 436.A N CYS 432.A O no hydrogen 2.864 N/A PHE 437.A N ILE 433.A O no hydrogen 3.026 N/A HIS 438.A N PHE 434.A O no hydrogen 2.802 N/A HIS 438.A ND1 PHE 434.A O no hydrogen 3.119 N/A SER 439.A OG LEU 435.A O no hydrogen 2.326 N/A SER 439.A OG HIS 524.A O no hydrogen 3.447 N/A PHE 440.A N GLY 436.A O no hydrogen 3.186 N/A GLY 441.A N GLY 436.A O no hydrogen 3.332 N/A TYR 443.A N SER 439.A O no hydrogen 3.282 N/A TYR 443.A OH ALA 627.A O no hydrogen 2.930 N/A ILE 444.A N PHE 440.A O no hydrogen 2.803 N/A HIS 445.A N GLY 441.A O no hydrogen 2.855 N/A HIS 445.A NE2 ASP 457.A O no hydrogen 2.500 N/A ASN 446.A N LEU 442.A O no hydrogen 3.261 N/A ASN 446.A ND2 PHE 459.A O no hydrogen 3.147 N/A ASP 447.A N TYR 443.A O no hydrogen 3.048 N/A THR 448.A N ILE 444.A O no hydrogen 2.982 N/A THR 448.A OG1 ILE 444.A O no hydrogen 2.746 N/A MET 449.A N HIS 445.A O no hydrogen 2.744 N/A ARG 450.A N ASN 446.A O no hydrogen 3.009 N/A ARG 450.A NH1 GLN 625.A O no hydrogen 3.021 N/A ARG 450.A NH2 GLN 625.A O no hydrogen 2.565 N/A ALA 451.A N ASP 447.A O no hydrogen 3.156 N/A LEU 452.A N THR 448.A O no hydrogen 2.881 N/A GLY 453.A N ARG 450.A O no hydrogen 3.285 N/A ARG 454.A N MET 449.A O no hydrogen 2.739 N/A ARG 454.A NE ASP 457.A OD2 no hydrogen 2.734 N/A ARG 454.A NH2 ASP 457.A OD2 no hydrogen 3.119 N/A GLN 456.A N GLN 456.A OE1 no hydrogen 2.853 N/A ASP 457.A N ARG 454.A O no hydrogen 3.384 N/A MET 458.A N PRO 455.A O no hydrogen 3.464 N/A SER 460.A N ILE 464.A O no hydrogen 3.065 N/A GLN 467.A NE2 ASP 461.A OD1 no hydrogen 2.434 N/A GLN 472.A N PRO 468.A O no hydrogen 2.871 N/A GLN 472.A NE2 GLN 467.A OE1 no hydrogen 2.999 N/A GLN 472.A NE2 LEU 515.A O no hydrogen 2.436 N/A TRP 473.A N ILE 469.A O no hydrogen 3.111 N/A VAL 474.A N PHE 470.A O no hydrogen 3.144 N/A GLN 475.A N ALA 471.A O no hydrogen 2.944 N/A GLN 475.A NE2 ILE 513.A O no hydrogen 2.765 N/A HIS 476.A N GLN 472.A O no hydrogen 2.954 N/A LEU 477.A N TRP 473.A O no hydrogen 2.896 N/A HIS 478.A N VAL 474.A O no hydrogen 3.127 N/A THR 479.A N GLN 475.A O no hydrogen 3.205 N/A THR 479.A OG1 GLN 475.A O no hydrogen 2.831 N/A LEU 480.A N HIS 476.A O no hydrogen 3.145 N/A GLY 483.A N ALA 486.A O no hydrogen 3.041 N/A ALA 484.A N ALA 481.A O no hydrogen 3.461 N/A THR 485.A N ALA 481.A O no hydrogen 3.185 N/A ALA 486.A N ALA 481.A O no hydrogen 2.598 N/A ALA 489.A N ALA 486.A O no hydrogen 3.160 N/A ALA 491.A N LYS 266.A O no hydrogen 2.921 N/A THR 492.A OG1 HIS 478.A O no hydrogen 3.495 N/A THR 492.A OG1 SER 494.A O no hydrogen 3.074 N/A SER 494.A N THR 492.A OG1 no hydrogen 3.377 N/A SER 494.A OG ALA 360.A O no hydrogen 2.377 N/A ALA 496.A N SER 494.A OG no hydrogen 3.123 N/A PHE 497.A N SER 494.A O no hydrogen 3.416 N/A ILE 502.A N MET 510.A O no hydrogen 2.959 N/A VAL 504.A N LYS 507.A O no hydrogen 3.093 N/A LYS 507.A NZ GLY 739.A O no hydrogen 3.383 N/A VAL 508.A N GLY 607.A O no hydrogen 2.967 N/A ALA 509.A N ILE 502.A O no hydrogen 2.593 N/A ILE 513.A N ALA 496.A O no hydrogen 3.013 N/A GLY 516.A N ASP 519.A OD2 no hydrogen 3.207 N/A THR 517.A OG1 ASP 461.A OD1 no hydrogen 2.392 N/A PHE 520.A N GLY 516.A O no hydrogen 2.984 N/A MET 521.A N THR 517.A O no hydrogen 3.020 N/A VAL 522.A N ALA 518.A O no hydrogen 3.137 N/A HIS 523.A N ASP 519.A O no hydrogen 3.308 N/A HIS 523.A ND1 ASP 519.A O no hydrogen 2.389 N/A HIS 524.A N PHE 520.A O no hydrogen 3.226 N/A HIS 524.A ND1 PHE 520.A O no hydrogen 2.989 N/A ILE 525.A N MET 521.A O no hydrogen 2.983 N/A HIS 526.A N VAL 522.A O no hydrogen 2.969 N/A ALA 527.A N HIS 523.A O no hydrogen 2.816 N/A PHE 528.A N HIS 524.A O no hydrogen 2.795 N/A THR 529.A N ILE 525.A O no hydrogen 2.899 N/A THR 529.A OG1 ILE 525.A O no hydrogen 3.030 N/A THR 529.A OG1 HIS 526.A O no hydrogen 3.487 N/A THR 529.A OG1 SER 589.A OG no hydrogen 3.216 N/A ILE 530.A N HIS 526.A O no hydrogen 3.097 N/A HIS 531.A N ALA 527.A O no hydrogen 3.359 N/A VAL 532.A N PHE 528.A O no hydrogen 3.093 N/A THR 533.A N THR 529.A O no hydrogen 3.189 N/A THR 533.A OG1 THR 529.A O no hydrogen 2.753 N/A ALA 534.A N ILE 530.A O no hydrogen 2.668 N/A LEU 535.A N HIS 531.A O no hydrogen 2.613 N/A ILE 536.A N VAL 532.A O no hydrogen 2.833 N/A LEU 537.A N THR 533.A O no hydrogen 3.307 N/A LEU 538.A N ALA 534.A O no hydrogen 2.971 N/A LYS 539.A N LEU 535.A O no hydrogen 3.042 N/A GLY 540.A N ILE 536.A O no hydrogen 2.943 N/A VAL 541.A N LEU 537.A O no hydrogen 3.085 N/A LEU 542.A N LEU 538.A O no hydrogen 2.928 N/A TYR 543.A N LYS 539.A O no hydrogen 3.073 N/A TYR 543.A OH ASP 422.A OD1 no hydrogen 2.464 N/A ALA 544.A N VAL 541.A O no hydrogen 3.463 N/A ARG 545.A NH1 MET 400.A O no hydrogen 2.461 N/A SER 547.A N VAL 550.A O no hydrogen 3.068 N/A SER 547.A OG VAL 550.A O no hydrogen 3.345 N/A ARG 548.A NH2 ASP 422.A OD2 no hydrogen 2.666 N/A VAL 550.A N SER 547.A OG no hydrogen 3.233 N/A LYS 553.A NZ TYR 543.A O no hydrogen 2.589 N/A LYS 553.A NZ VAL 573.A O no hydrogen 3.054 N/A GLY 557.A N LYS 553.A O no hydrogen 3.237 N/A ASP 563.A N THR 570.A OG1 no hydrogen 3.026 N/A ARG 567.A NH1 ASP 563.A O no hydrogen 3.318 N/A ARG 567.A NH1 ASP 563.A OD2 no hydrogen 3.189 N/A ARG 567.A NH2 ASP 563.A OD2 no hydrogen 2.755 N/A GLY 569.A N GLY 566.A O no hydrogen 2.815 N/A THR 570.A N GLY 564.A O no hydrogen 3.264 N/A THR 570.A OG1 GLY 564.A O no hydrogen 2.797 N/A SER 574.A OG PHE 560.A O no hydrogen 3.174 N/A SER 574.A OG ASP 577.A OD2 no hydrogen 2.420 N/A TRP 576.A N PHE 558.A O no hydrogen 3.123 N/A ASP 577.A N SER 574.A OG no hydrogen 3.079 N/A HIS 578.A ND1 ILE 536.A O no hydrogen 2.837 N/A PHE 580.A N TRP 576.A O no hydrogen 2.926 N/A LEU 581.A N ASP 577.A O no hydrogen 2.902 N/A GLY 582.A N HIS 578.A O no hydrogen 2.729 N/A LEU 583.A N VAL 579.A O no hydrogen 2.991 N/A TRP 585.A N LEU 581.A O no hydrogen 3.301 N/A MET 586.A N GLY 582.A O no hydrogen 2.799 N/A TYR 587.A N LEU 583.A O no hydrogen 3.044 N/A TYR 587.A OH GLY 723.A O no hydrogen 3.215 N/A ASN 588.A N PHE 584.A O no hydrogen 2.709 N/A SER 589.A N TRP 585.A O no hydrogen 2.870 N/A SER 589.A OG THR 529.A OG1 no hydrogen 3.216 N/A LEU 590.A N MET 586.A O no hydrogen 2.901 N/A SER 591.A N TYR 587.A O no hydrogen 2.993 N/A SER 591.A OG TYR 587.A O no hydrogen 2.516 N/A VAL 593.A N SER 589.A O no hydrogen 3.194 N/A ILE 594.A N LEU 590.A O no hydrogen 3.034 N/A PHE 595.A N SER 591.A O no hydrogen 2.940 N/A HIS 596.A N ILE 592.A O no hydrogen 2.750 N/A HIS 596.A NE2 ASP 519.A OD1 no hydrogen 3.272 N/A PHE 597.A N VAL 593.A O no hydrogen 2.929 N/A SER 598.A N ILE 594.A O no hydrogen 2.820 N/A SER 598.A OG GLN 602.A OE1 no hydrogen 3.206 N/A TRP 599.A N PHE 595.A O no hydrogen 3.061 N/A TRP 599.A NE1 ASN 622.A OD1 no hydrogen 2.841 N/A LYS 600.A N HIS 596.A O no hydrogen 3.047 N/A LYS 600.A NZ THR 514.A O no hydrogen 2.688 N/A LYS 600.A NZ ASP 519.A OD1 no hydrogen 3.479 N/A LYS 600.A NZ ASP 519.A OD2 no hydrogen 2.598 N/A LYS 600.A NZ ASP 604.A OD2 no hydrogen 2.925 N/A MET 601.A N PHE 597.A O no hydrogen 3.084 N/A GLN 602.A N SER 598.A O no hydrogen 3.340 N/A SER 603.A N TRP 599.A O no hydrogen 2.858 N/A SER 603.A OG TRP 599.A O no hydrogen 2.533 N/A ASP 604.A N LYS 600.A O no hydrogen 3.103 N/A VAL 605.A N MET 601.A O no hydrogen 2.973 N/A TRP 606.A N MET 601.A O no hydrogen 2.471 N/A GLY 607.A N TYR 371.A OH no hydrogen 3.085 N/A THR 608.A N THR 616.A O no hydrogen 2.969 N/A THR 608.A OG1 THR 616.A O no hydrogen 3.393 N/A THR 608.A OG1 THR 616.A OG1 no hydrogen 2.367 N/A VAL 609.A N GLY 506.A O no hydrogen 3.140 N/A SER 610.A N SER 614.A O no hydrogen 2.543 N/A ASP 612.A N SER 610.A OG no hydrogen 3.314 N/A GLY 613.A N SER 610.A O no hydrogen 3.000 N/A THR 616.A N THR 608.A O no hydrogen 2.935 N/A VAL 618.A N GLN 602.A O no hydrogen 2.979 N/A VAL 618.A N TRP 606.A O no hydrogen 3.334 N/A THR 619.A N GLN 602.A O no hydrogen 3.258 N/A THR 619.A OG1 ASN 622.A OD1 no hydrogen 2.357 N/A ASN 622.A ND2 ASP 636.A O no hydrogen 3.627 N/A SER 626.A N ASN 622.A O no hydrogen 3.157 N/A SER 626.A OG ASN 622.A O no hydrogen 3.321 N/A SER 626.A OG ASP 636.A OD2 no hydrogen 3.042 N/A ALA 627.A N PHE 623.A O no hydrogen 3.019 N/A THR 629.A N SER 626.A O no hydrogen 3.446 N/A ASN 631.A N ASP 447.A OD2 no hydrogen 3.061 N/A TRP 633.A N THR 629.A O no hydrogen 3.187 N/A TRP 633.A NE1 ALA 627.A O no hydrogen 3.148 N/A LEU 634.A N ILE 630.A O no hydrogen 2.844 N/A ARG 635.A N ASN 631.A O no hydrogen 2.651 N/A ARG 635.A NE ASP 636.A OD1 no hydrogen 3.286 N/A ARG 635.A NE ASP 636.A OD2 no hydrogen 2.951 N/A ARG 635.A NH2 ASP 636.A OD2 no hydrogen 3.267 N/A ASP 636.A N GLY 632.A O no hydrogen 2.785 N/A LEU 638.A N TRP 633.A O no hydrogen 2.921 N/A TRP 639.A N LEU 634.A O no hydrogen 2.757 N/A ALA 640.A N ARG 635.A O no hydrogen 2.958 N/A GLN 641.A N PHE 637.A O no hydrogen 3.221 N/A ALA 643.A N ALA 640.A O no hydrogen 3.446 N/A ASN 647.A N ALA 643.A O no hydrogen 3.087 N/A ASN 647.A ND2 ALA 643.A O no hydrogen 3.122 N/A SER 648.A OG VAL 645.A O no hydrogen 2.897 N/A SER 648.A OG LEU 653.A O no hydrogen 3.111 N/A SER 651.A N SER 648.A O no hydrogen 3.134 N/A SER 651.A OG SER 648.A O no hydrogen 2.453 N/A LEU 653.A N SER 651.A OG no hydrogen 3.293 N/A SER 654.A OG SER 651.A O no hydrogen 3.046 N/A TYR 656.A N LEU 653.A O no hydrogen 3.106 N/A GLY 657.A N LEU 653.A O no hydrogen 3.328 N/A ILE 658.A N SER 654.A O no hydrogen 2.811 N/A MET 659.A N ALA 655.A O no hydrogen 2.760 N/A PHE 660.A N TYR 656.A O no hydrogen 2.822 N/A LEU 661.A N GLY 657.A O no hydrogen 3.456 N/A ALA 662.A N ILE 658.A O no hydrogen 2.751 N/A GLY 663.A N MET 659.A O no hydrogen 3.041 N/A HIS 664.A N PHE 660.A O no hydrogen 3.270 N/A HIS 664.A ND1 PHE 660.A O no hydrogen 2.754 N/A PHE 665.A N LEU 661.A O no hydrogen 3.105 N/A VAL 666.A N ALA 662.A O no hydrogen 3.297 N/A PHE 667.A N GLY 663.A O no hydrogen 3.205 N/A ALA 668.A N HIS 664.A O no hydrogen 3.326 N/A PHE 669.A N PHE 665.A O no hydrogen 2.675 N/A SER 670.A N VAL 666.A O no hydrogen 2.877 N/A SER 670.A OG PHE 667.A O no hydrogen 2.329 N/A LEU 671.A N ALA 668.A O no hydrogen 3.312 N/A MET 672.A N PHE 669.A O no hydrogen 3.316 N/A LEU 674.A N SER 670.A O no hydrogen 2.797 N/A PHE 675.A N LEU 671.A O no hydrogen 3.088 N/A SER 676.A N MET 672.A O no hydrogen 3.373 N/A SER 676.A OG MET 672.A O no hydrogen 3.230 N/A ARG 678.A NE LEU 706.A O no hydrogen 2.692 N/A ARG 678.A NH2 GLN 682.A OE1 no hydrogen 2.846 N/A ARG 678.A NH2 ALA 705.A O no hydrogen 2.789 N/A TYR 680.A N GLY 677.A O no hydrogen 3.112 N/A GLN 682.A N ARG 678.A O no hydrogen 2.743 N/A GLN 682.A NE2 GLN 682.A O no hydrogen 3.496 N/A GLN 682.A NE2 PRO 703.A O no hydrogen 3.529 N/A LEU 684.A N TYR 680.A O no hydrogen 3.036 N/A ILE 685.A N TRP 681.A O no hydrogen 2.938 N/A GLU 686.A N GLN 682.A O no hydrogen 3.198 N/A SER 687.A N LEU 684.A O no hydrogen 3.206 N/A SER 687.A OG GLU 683.A O no hydrogen 3.359 N/A ILE 688.A N LEU 684.A O no hydrogen 3.173 N/A VAL 689.A N ILE 685.A O no hydrogen 2.542 N/A TRP 690.A N GLU 686.A O no hydrogen 3.202 N/A ALA 691.A N SER 687.A O no hydrogen 3.284 N/A HIS 692.A N ILE 688.A O no hydrogen 2.998 N/A HIS 692.A ND1 ILE 688.A O no hydrogen 2.857 N/A ASN 693.A N VAL 689.A O no hydrogen 2.680 N/A LYS 694.A N TRP 690.A O no hydrogen 2.765 N/A VAL 697.A N HIS 692.A O no hydrogen 2.627 N/A GLN 702.A N LYS 31.A O no hydrogen 3.118 N/A ARG 704.A N THR 33.A OG1 no hydrogen 2.849 N/A ALA 705.A N GLN 682.A OE1 no hydrogen 2.561 N/A GLN 710.A N SER 707.A OG no hydrogen 3.338 N/A GLY 711.A N SER 707.A O no hydrogen 2.762 N/A ARG 712.A N ILE 708.A O no hydrogen 3.157 N/A ARG 712.A NH1 PRO 561.A O no hydrogen 3.089 N/A ARG 712.A NH1 ASP 577.A OD1 no hydrogen 2.694 N/A ALA 713.A N ILE 709.A O no hydrogen 2.624 N/A VAL 714.A N GLN 710.A O no hydrogen 2.548 N/A GLY 715.A N GLY 711.A O no hydrogen 3.306 N/A VAL 716.A N ARG 712.A O no hydrogen 2.880 N/A ALA 717.A N ALA 713.A O no hydrogen 3.002 N/A HIS 718.A N VAL 714.A O no hydrogen 2.967 N/A TYR 719.A N GLY 715.A O no hydrogen 3.082 N/A LEU 720.A N VAL 716.A O no hydrogen 3.195 N/A LEU 721.A N ALA 717.A O no hydrogen 2.734 N/A GLY 722.A N HIS 718.A O no hydrogen 2.816 N/A GLY 723.A N TYR 719.A O no hydrogen 2.831 N/A VAL 725.A N LEU 721.A O no hydrogen 3.085 N/A THR 726.A N GLY 722.A O no hydrogen 3.174 N/A THR 726.A OG1 GLY 722.A O no hydrogen 2.410 N/A THR 727.A N GLY 723.A O no hydrogen 3.424 N/A THR 727.A OG1 GLY 723.A O no hydrogen 2.793 N/A TRP 728.A N ILE 724.A O no hydrogen 2.646 N/A ALA 729.A N VAL 725.A O no hydrogen 2.951 N/A PHE 730.A N THR 726.A O no hydrogen 2.888 N/A PHE 731.A N THR 727.A O no hydrogen 2.758 N/A LEU 732.A N TRP 728.A O no hydrogen 2.995 N/A ALA 733.A N ALA 729.A O no hydrogen 3.156 N/A ARG 734.A N PHE 730.A O no hydrogen 3.206 N/A ARG 734.A NH1 ASN 644.A OD1 no hydrogen 2.928 N/A SER 735.A N PHE 731.A O no hydrogen 3.023 N/A SER 735.A OG PHE 731.A O no hydrogen 2.632 N/A LEU 736.A N LEU 732.A O no hydrogen 3.047 N/A SER 737.A N ARG 734.A O no hydrogen 3.106 N/A SER 737.A OG ALA 733.A O no hydrogen 2.713 N/A ILE 738.A N ARG 734.A O no hydrogen 3.083 N/A