Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7wg5_AB.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A N PHE 5.A O no hydrogen 2.539 N/A ARG 7.A NE ALA 2.A O no hydrogen 3.463 N/A ARG 7.A NH1 ALA 2.A O no hydrogen 3.022 N/A SER 9.A N PRO 6.A O no hydrogen 2.963 N/A GLN 10.A N ASP 35.A OD2 no hydrogen 2.530 N/A ALA 13.A N SER 9.A O no hydrogen 3.264 N/A THR 17.A N ASP 15.A OD1 no hydrogen 3.039 N/A THR 17.A OG1 ASP 15.A OD1 no hydrogen 2.666 N/A THR 18.A N LYS 696.A O no hydrogen 2.939 N/A THR 18.A OG1 LYS 696.A O no hydrogen 3.479 N/A THR 18.A OG1 VAL 698.A O no hydrogen 3.352 N/A ARG 19.A N THR 17.A OG1 no hydrogen 3.160 N/A ARG 19.A NH1 ASP 15.A OD2 no hydrogen 2.690 N/A ARG 20.A N THR 17.A O no hydrogen 3.432 N/A ARG 20.A NH2 ASP 695.A OD1 no hydrogen 2.481 N/A ILE 21.A N THR 18.A O no hydrogen 3.051 N/A PHE 23.A N ARG 19.A O no hydrogen 2.896 N/A GLY 24.A N ARG 20.A O no hydrogen 2.876 N/A ILE 25.A N ILE 21.A O no hydrogen 2.953 N/A ALA 26.A N TRP 22.A O no hydrogen 2.904 N/A THR 27.A N PHE 23.A O no hydrogen 2.864 N/A THR 27.A OG1 PHE 23.A O no hydrogen 2.660 N/A SER 33.A N ASP 30.A O no hydrogen 3.071 N/A SER 33.A OG ASP 30.A O no hydrogen 3.180 N/A HIS 34.A N PHE 31.A O no hydrogen 3.382 N/A HIS 34.A NE2 THR 27.A O no hydrogen 2.943 N/A ASP 35.A N PHE 8.A O no hydrogen 3.029 N/A ARG 41.A N THR 38.A OG1 no hydrogen 3.336 N/A LEU 42.A N THR 38.A O no hydrogen 2.780 N/A TYR 43.A N GLU 39.A O no hydrogen 2.924 N/A GLN 44.A N GLU 40.A O no hydrogen 2.944 N/A GLN 44.A NE2 PRO 163.A O no hydrogen 2.848 N/A ASN 45.A N ARG 41.A O no hydrogen 2.902 N/A ILE 46.A N LEU 42.A O no hydrogen 2.943 N/A PHE 47.A N TYR 43.A O no hydrogen 2.911 N/A ALA 48.A N GLN 44.A O no hydrogen 2.960 N/A SER 49.A N ASN 45.A O no hydrogen 2.883 N/A SER 49.A OG ASN 45.A O no hydrogen 2.484 N/A HIS 50.A N ILE 46.A O no hydrogen 2.879 N/A PHE 51.A N PHE 47.A O no hydrogen 2.992 N/A GLY 52.A N ALA 48.A O no hydrogen 2.929 N/A GLN 53.A N SER 49.A O no hydrogen 2.892 N/A GLN 53.A NE2 GLN 53.A O no hydrogen 2.994 N/A LEU 54.A N HIS 50.A O no hydrogen 2.933 N/A ALA 55.A N PHE 51.A O no hydrogen 2.901 N/A ILE 56.A N GLY 52.A O no hydrogen 2.917 N/A ILE 57.A N GLN 53.A O no hydrogen 2.873 N/A PHE 58.A N LEU 54.A O no hydrogen 2.963 N/A LEU 59.A N ALA 55.A O no hydrogen 2.882 N/A TRP 60.A N ILE 56.A O no hydrogen 2.863 N/A THR 61.A N ILE 57.A O no hydrogen 2.951 N/A THR 61.A OG1 ILE 57.A O no hydrogen 2.796 N/A SER 62.A N PHE 58.A O no hydrogen 2.875 N/A SER 62.A OG ALA 139.A O no hydrogen 3.197 N/A GLY 63.A N LEU 59.A O no hydrogen 2.854 N/A ASN 64.A N TRP 60.A O no hydrogen 2.956 N/A LEU 65.A N THR 61.A O no hydrogen 2.931 N/A PHE 66.A N SER 62.A O no hydrogen 2.848 N/A HIS 67.A N GLY 63.A O no hydrogen 2.922 N/A HIS 67.A ND1 GLN 71.A OE1 no hydrogen 3.104 N/A VAL 68.A N ASN 64.A O no hydrogen 2.948 N/A ALA 69.A N LEU 65.A O no hydrogen 2.865 N/A TRP 70.A N PHE 66.A O no hydrogen 2.689 N/A GLN 71.A N HIS 67.A O no hydrogen 3.222 N/A ASN 73.A ND2 ARG 85.A O no hydrogen 2.567 N/A ASN 73.A ND2 GLY 107.A O no hydrogen 3.100 N/A THR 76.A N ASN 73.A O no hydrogen 2.962 N/A THR 76.A OG1 ASN 73.A O no hydrogen 2.789 N/A TRP 77.A N ASN 73.A O no hydrogen 2.745 N/A VAL 78.A N PHE 74.A O no hydrogen 3.157 N/A GLN 79.A N THR 76.A O no hydrogen 3.370 N/A HIS 83.A N ASP 80.A O no hydrogen 3.420 N/A VAL 84.A N PRO 81.A O no hydrogen 3.465 N/A ILE 87.A N TYR 121.A OH no hydrogen 3.281 N/A ALA 88.A N ASN 114.A O no hydrogen 2.456 N/A ALA 90.A N GLN 71.A OE1 no hydrogen 2.710 N/A HIS 95.A N ASP 93.A OD1 no hydrogen 3.086 N/A HIS 95.A ND1 ASP 93.A OD1 no hydrogen 2.707 N/A PHE 96.A N ASP 93.A O no hydrogen 3.081 N/A VAL 101.A N GLY 97.A O no hydrogen 3.102 N/A GLU 102.A N GLN 98.A O no hydrogen 2.922 N/A ALA 103.A N PRO 99.A O no hydrogen 2.908 N/A PHE 104.A N ALA 100.A O no hydrogen 3.107 N/A THR 105.A OG1 VAL 101.A O no hydrogen 2.724 N/A ARG 106.A NH2 VAL 113.A O no hydrogen 3.181 N/A VAL 113.A N PHE 104.A O no hydrogen 2.787 N/A ASN 114.A N HIS 89.A O no hydrogen 2.960 N/A TYR 121.A OH ASN 73.A OD1 no hydrogen 3.302 N/A TYR 121.A OH ILE 87.A O no hydrogen 2.644 N/A GLN 122.A N GLN 122.A OE1 no hydrogen 2.564 N/A GLN 122.A NE2 PHE 360.A O no hydrogen 3.586 N/A TRP 123.A N GLY 119.A O no hydrogen 2.985 N/A TRP 124.A N VAL 120.A O no hydrogen 2.882 N/A TYR 125.A N TYR 121.A O no hydrogen 2.896 N/A THR 126.A N GLN 122.A O no hydrogen 2.926 N/A THR 126.A N TRP 123.A O no hydrogen 3.168 N/A THR 126.A OG1 GLN 122.A O no hydrogen 2.224 N/A ILE 127.A N TRP 123.A O no hydrogen 3.170 N/A ILE 127.A N TRP 124.A O no hydrogen 3.320 N/A ARG 130.A N ASP 134.A OD2 no hydrogen 3.299 N/A ARG 130.A NH1 ALA 201.A O no hydrogen 2.399 N/A ARG 130.A NH2 TYR 125.A O no hydrogen 2.539 N/A THR 131.A OG1 GLU 75.A OE2 no hydrogen 3.504 N/A GLU 133.A N THR 131.A OG1 no hydrogen 3.410 N/A ASP 134.A N THR 131.A O no hydrogen 3.221 N/A TYR 136.A N ASN 132.A O no hydrogen 2.908 N/A THR 137.A N GLU 133.A O no hydrogen 2.883 N/A THR 137.A OG1 GLU 133.A O no hydrogen 2.654 N/A GLY 138.A N ASP 134.A O no hydrogen 2.905 N/A ALA 139.A N LEU 135.A O no hydrogen 2.889 N/A LEU 140.A N TYR 136.A O no hydrogen 2.924 N/A PHE 141.A N THR 137.A O no hydrogen 2.908 N/A LEU 142.A N GLY 138.A O no hydrogen 2.902 N/A LEU 143.A N ALA 139.A O no hydrogen 2.878 N/A PHE 144.A N LEU 140.A O no hydrogen 2.926 N/A LEU 145.A N PHE 141.A O no hydrogen 2.885 N/A SER 146.A N LEU 142.A O no hydrogen 2.853 N/A SER 146.A OG ALA 55.A O no hydrogen 2.823 N/A SER 146.A OG LEU 142.A O no hydrogen 2.977 N/A ALA 147.A N LEU 143.A O no hydrogen 2.935 N/A LEU 148.A N PHE 144.A O no hydrogen 2.855 N/A SER 149.A N LEU 145.A O no hydrogen 2.876 N/A SER 149.A OG LEU 145.A O no hydrogen 3.441 N/A LEU 150.A N SER 146.A O no hydrogen 2.932 N/A ILE 151.A N ALA 147.A O no hydrogen 2.852 N/A GLY 152.A N LEU 148.A O no hydrogen 2.882 N/A GLY 153.A N SER 149.A O no hydrogen 2.896 N/A TRP 154.A N LEU 150.A O no hydrogen 2.939 N/A LEU 155.A N ILE 151.A O no hydrogen 2.833 N/A HIS 156.A N GLY 152.A O no hydrogen 2.913 N/A HIS 156.A ND1 TRP 161.A O no hydrogen 3.155 N/A LEU 157.A N TRP 154.A O no hydrogen 3.184 N/A GLN 158.A N LEU 155.A O no hydrogen 3.319 N/A GLN 158.A NE2 TRP 154.A O no hydrogen 2.883 N/A TRP 161.A N GLN 158.A O no hydrogen 3.318 N/A TRP 167.A N ARG 164.A O no hydrogen 2.989 N/A LYS 169.A NZ GLU 39.A OE2 no hydrogen 2.726 N/A LYS 169.A NZ ASN 328.A OD1 no hydrogen 2.993 N/A ASN 170.A N TRP 167.A O no hydrogen 3.414 N/A SER 173.A N ASN 170.A OD1 no hydrogen 3.087 N/A SER 173.A OG HIS 177.A ND1 no hydrogen 3.295 N/A ARG 174.A NH1 PHE 168.A O no hydrogen 2.414 N/A ASN 176.A N GLU 172.A O no hydrogen 2.915 N/A ASN 176.A ND2 TYR 291.A O no hydrogen 2.546 N/A HIS 177.A N SER 173.A O no hydrogen 2.904 N/A HIS 177.A ND1 SER 173.A O no hydrogen 2.565 N/A HIS 178.A N ARG 174.A O no hydrogen 2.864 N/A LEU 179.A N LEU 175.A O no hydrogen 2.877 N/A SER 180.A N ASN 176.A O no hydrogen 2.943 N/A SER 180.A OG ASN 176.A O no hydrogen 2.378 N/A SER 180.A OG HIS 177.A O no hydrogen 3.228 N/A GLY 181.A N HIS 177.A O no hydrogen 2.588 N/A LEU 182.A N HIS 177.A O no hydrogen 3.243 N/A PHE 183.A N HIS 178.A O no hydrogen 2.667 N/A VAL 185.A N SER 180.A O no hydrogen 2.829 N/A SER 186.A N GLY 181.A O no hydrogen 3.133 N/A SER 186.A OG GLY 181.A O no hydrogen 3.380 N/A SER 186.A OG LEU 182.A O no hydrogen 3.036 N/A SER 187.A N PHE 183.A O no hydrogen 3.426 N/A SER 187.A OG PHE 183.A O no hydrogen 2.693 N/A LEU 188.A N GLY 184.A O no hydrogen 2.772 N/A ALA 189.A N VAL 185.A O no hydrogen 2.838 N/A TRP 190.A N SER 186.A O no hydrogen 2.871 N/A THR 191.A N SER 187.A O no hydrogen 2.909 N/A THR 191.A OG1 SER 187.A O no hydrogen 2.931 N/A THR 191.A OG1 ALA 274.A O no hydrogen 3.272 N/A GLY 192.A N LEU 188.A O no hydrogen 2.908 N/A HIS 193.A N ALA 189.A O no hydrogen 2.903 N/A HIS 193.A NE2 ILE 127.A O no hydrogen 2.570 N/A LEU 194.A N TRP 190.A O no hydrogen 2.863 N/A VAL 195.A N THR 191.A O no hydrogen 2.893 N/A HIS 196.A N GLY 192.A O no hydrogen 2.912 N/A HIS 196.A ND1 GLY 192.A O no hydrogen 2.427 N/A VAL 197.A N HIS 193.A O no hydrogen 2.802 N/A ALA 198.A N HIS 193.A O no hydrogen 3.086 N/A ILE 199.A N LEU 194.A O no hydrogen 2.899 N/A ALA 201.A N VAL 197.A O no hydrogen 2.579 N/A SER 202.A N ALA 198.A O no hydrogen 2.869 N/A SER 202.A OG ILE 199.A O no hydrogen 2.943 N/A ARG 203.A N ILE 199.A O no hydrogen 2.906 N/A ARG 203.A NE ASP 238.A OD2 no hydrogen 3.148 N/A ARG 203.A NH1 ALA 253.A O no hydrogen 2.473 N/A ARG 203.A NH2 ASP 238.A OD2 no hydrogen 2.562 N/A ARG 203.A NH2 ALA 253.A O no hydrogen 2.676 N/A GLU 205.A N GLU 205.A OE1 no hydrogen 2.465 N/A ARG 208.A NE ASP 134.A OD2 no hydrogen 2.772 N/A ARG 208.A NH1 VAL 207.A O no hydrogen 3.112 N/A ARG 208.A NH2 ASP 134.A OD2 no hydrogen 3.046 N/A ASN 211.A N ARG 208.A O no hydrogen 3.027 N/A HIS 218.A NE2 LEU 232.A O no hydrogen 2.612 N/A PHE 226.A N LEU 222.A O no hydrogen 3.267 N/A THR 227.A N GLY 223.A O no hydrogen 2.756 N/A THR 227.A OG1 GLY 223.A O no hydrogen 2.491 N/A GLY 228.A N LEU 225.A O no hydrogen 3.320 N/A TRP 230.A N GLY 228.A O no hydrogen 2.813 N/A TRP 230.A NE1 LEU 225.A O no hydrogen 3.010 N/A LEU 232.A N GLN 229.A O no hydrogen 3.204 N/A TYR 233.A N TRP 230.A O no hydrogen 2.934 N/A ALA 234.A N ASN 231.A O no hydrogen 2.889 N/A GLN 235.A NE2 ASN 231.A O no hydrogen 3.576 N/A SER 240.A OG SER 240.A O no hydrogen 2.458 N/A SER 241.A OG SER 239.A O no hydrogen 3.052 N/A HIS 242.A NE2 SER 202.A O no hydrogen 2.990 N/A LEU 243.A N GLN 248.A O no hydrogen 3.195 N/A PHE 244.A N GLN 264.A OE1 no hydrogen 2.571 N/A GLY 245.A N SER 202.A O no hydrogen 2.818 N/A THR 246.A N LEU 243.A O no hydrogen 3.123 N/A THR 246.A OG1 LEU 243.A O no hydrogen 3.294 N/A THR 246.A OG1 GLN 248.A OE1 no hydrogen 2.691 N/A SER 250.A N SER 247.A O no hydrogen 3.390 N/A ALA 253.A N ASN 236.A O no hydrogen 3.231 N/A ILE 254.A N TYR 233.A O no hydrogen 3.152 N/A LEU 255.A N TYR 233.A O no hydrogen 3.140 N/A LEU 258.A N ASP 272.A OD1 no hydrogen 2.782 N/A GLY 259.A N ASP 272.A OD2 no hydrogen 2.975 N/A HIS 262.A N SER 267.A O no hydrogen 2.477 N/A THR 265.A OG1 SER 267.A OG no hydrogen 2.919 N/A SER 267.A N THR 265.A OG1 no hydrogen 3.012 N/A SER 267.A OG THR 265.A OG1 no hydrogen 2.919 N/A SER 267.A OG LEU 268.A O no hydrogen 3.091 N/A LEU 268.A N PRO 356.A O no hydrogen 2.933 N/A THR 271.A OG1 THR 256.A O no hydrogen 3.542 N/A MET 273.A N TRP 269.A O no hydrogen 2.963 N/A ALA 274.A N LEU 270.A O no hydrogen 2.904 N/A HIS 275.A N THR 271.A O no hydrogen 2.939 N/A HIS 276.A N ASP 272.A O no hydrogen 2.837 N/A HIS 277.A N MET 273.A O no hydrogen 2.931 N/A HIS 277.A ND1 MET 273.A O no hydrogen 2.618 N/A LEU 278.A N ALA 274.A O no hydrogen 2.941 N/A ALA 279.A N HIS 275.A O no hydrogen 2.892 N/A ILE 280.A N HIS 276.A O no hydrogen 2.954 N/A ALA 281.A N HIS 277.A O no hydrogen 2.871 N/A ILE 282.A N LEU 278.A O no hydrogen 2.946 N/A LEU 283.A N ALA 279.A O no hydrogen 2.959 N/A PHE 284.A N ILE 280.A O no hydrogen 2.829 N/A LEU 285.A N ALA 281.A O no hydrogen 2.870 N/A ILE 286.A N ILE 282.A O no hydrogen 2.897 N/A ALA 287.A N LEU 283.A O no hydrogen 2.861 N/A GLY 288.A N PHE 284.A O no hydrogen 2.880 N/A HIS 289.A ND1 LEU 285.A O no hydrogen 2.506 N/A MET 290.A N GLY 288.A O no hydrogen 2.587 N/A ARG 292.A N HIS 299.A O no hydrogen 2.712 N/A HIS 299.A N MET 290.A O no hydrogen 2.612 N/A ILE 301.A N GLU 172.A OE2 no hydrogen 2.930 N/A ASP 303.A N SER 300.A OG no hydrogen 3.096 N/A LEU 304.A N SER 300.A O no hydrogen 3.104 N/A LEU 305.A N ILE 301.A O no hydrogen 2.959 N/A GLU 306.A N LYS 302.A O no hydrogen 2.618 N/A HIS 308.A N LEU 305.A O no hydrogen 3.175 N/A HIS 308.A ND1 LEU 304.A O no hydrogen 2.531 N/A GLY 313.A N PRO 310.A O no hydrogen 3.215 N/A ARG 317.A N ASP 405.A O no hydrogen 2.722 N/A ARG 317.A NH1 LYS 320.A O no hydrogen 3.197 N/A HIS 319.A ND1 HIS 308.A O no hydrogen 3.151 N/A LYS 320.A N ARG 317.A O no hydrogen 3.288 N/A GLY 321.A N GLU 306.A OE1 no hydrogen 2.461 N/A LEU 322.A N HIS 319.A O no hydrogen 3.181 N/A TYR 323.A OH GLU 172.A OE1 no hydrogen 2.745 N/A THR 325.A OG1 LEU 322.A O no hydrogen 3.334 N/A ASN 327.A N TYR 323.A O no hydrogen 2.907 N/A ASN 327.A ND2 LYS 169.A O no hydrogen 2.839 N/A ASN 328.A N ASP 324.A O no hydrogen 3.320 N/A SER 329.A N ILE 326.A O no hydrogen 3.370 N/A HIS 331.A NE2 GLU 32.A OE1 no hydrogen 2.776 N/A PHE 332.A N SER 329.A OG no hydrogen 3.321 N/A GLN 333.A N SER 329.A O no hydrogen 3.477 N/A LEU 334.A N ILE 330.A O no hydrogen 2.870 N/A GLY 335.A N HIS 331.A O no hydrogen 2.847 N/A LEU 336.A N PHE 332.A O no hydrogen 2.937 N/A ALA 337.A N GLN 333.A O no hydrogen 2.888 N/A LEU 338.A N LEU 334.A O no hydrogen 2.875 N/A ALA 339.A N GLY 335.A O no hydrogen 2.867 N/A SER 340.A N LEU 336.A O no hydrogen 2.980 N/A SER 340.A OG LEU 336.A O no hydrogen 2.790 N/A LEU 341.A N ALA 337.A O no hydrogen 2.871 N/A GLY 342.A N LEU 338.A O no hydrogen 2.828 N/A VAL 343.A N ALA 339.A O no hydrogen 2.967 N/A ILE 344.A N SER 340.A O no hydrogen 2.911 N/A THR 345.A N LEU 341.A O no hydrogen 2.783 N/A THR 345.A OG1 LEU 341.A O no hydrogen 2.468 N/A SER 346.A N GLY 342.A O no hydrogen 2.926 N/A SER 346.A OG GLY 342.A O no hydrogen 2.795 N/A SER 346.A OG GLN 376.A OE1 no hydrogen 3.415 N/A LEU 347.A N VAL 343.A O no hydrogen 2.903 N/A VAL 348.A N ILE 344.A O no hydrogen 2.794 N/A ALA 349.A N THR 345.A O no hydrogen 2.864 N/A GLN 350.A N SER 346.A O no hydrogen 2.849 N/A HIS 351.A N LEU 347.A O no hydrogen 2.912 N/A MET 352.A N VAL 348.A O no hydrogen 2.868 N/A SER 354.A OG GLN 350.A O no hydrogen 2.674 N/A LEU 355.A N HIS 351.A O no hydrogen 2.619 N/A ALA 359.A N THR 126.A OG1 no hydrogen 2.961 N/A ILE 361.A N TYR 358.A O no hydrogen 3.389 N/A GLN 363.A NE2 GLN 264.A O no hydrogen 3.281 N/A THR 367.A OG1 ASP 364.A OD2 no hydrogen 2.437 N/A GLN 368.A NE2 TYR 353.A O no hydrogen 3.433 N/A ALA 369.A N PHE 365.A O no hydrogen 3.263 N/A ALA 370.A N THR 366.A O no hydrogen 2.911 N/A LEU 371.A N THR 367.A O no hydrogen 2.890 N/A TYR 372.A N GLN 368.A O no hydrogen 2.894 N/A THR 373.A N ALA 369.A O no hydrogen 2.924 N/A THR 373.A OG1 ALA 369.A O no hydrogen 2.533 N/A HIS 374.A N ALA 370.A O no hydrogen 2.849 N/A HIS 375.A N LEU 371.A O no hydrogen 2.934 N/A HIS 375.A ND1 LEU 371.A O no hydrogen 3.029 N/A GLN 376.A N TYR 372.A O no hydrogen 2.931 N/A TYR 377.A N THR 373.A O no hydrogen 2.948 N/A ILE 378.A N HIS 374.A O no hydrogen 2.886 N/A ALA 379.A N HIS 375.A O no hydrogen 2.833 N/A GLY 380.A N GLN 376.A O no hydrogen 2.872 N/A PHE 381.A N TYR 377.A O no hydrogen 2.942 N/A ILE 382.A N ILE 378.A O no hydrogen 2.832 N/A MET 383.A N ALA 379.A O no hydrogen 2.852 N/A THR 384.A N GLY 380.A O no hydrogen 2.923 N/A THR 384.A OG1 GLY 380.A O no hydrogen 2.739 N/A GLY 385.A N PHE 381.A O no hydrogen 2.878 N/A ALA 386.A N ILE 382.A O no hydrogen 2.869 N/A PHE 387.A N MET 383.A O no hydrogen 3.044 N/A ALA 388.A N THR 384.A O no hydrogen 2.894 N/A HIS 389.A N GLY 385.A O no hydrogen 2.865 N/A GLY 390.A N ALA 386.A O no hydrogen 2.950 N/A ALA 391.A N PHE 387.A O no hydrogen 2.938 N/A ILE 392.A N ALA 388.A O no hydrogen 2.899 N/A PHE 393.A N HIS 389.A O no hydrogen 2.855 N/A PHE 394.A N GLY 390.A O no hydrogen 2.911 N/A ILE 395.A N ALA 391.A O no hydrogen 2.981 N/A ARG 396.A N ILE 392.A O no hydrogen 2.864 N/A ARG 396.A NH1 ASP 30.A OD2 no hydrogen 2.778 N/A ARG 396.A NH2 ASP 30.A OD1 no hydrogen 2.670 N/A ARG 396.A NH2 ASP 30.A OD2 no hydrogen 3.364 N/A ASP 397.A N PHE 393.A O no hydrogen 2.865 N/A GLU 401.A N GLU 401.A OE2 no hydrogen 3.054 N/A GLN 402.A N ASN 399.A O no hydrogen 3.182 N/A ASN 403.A N PRO 400.A O no hydrogen 3.252 N/A VAL 407.A N GLY 318.A O no hydrogen 2.425 N/A LEU 408.A N ASN 406.A OD1 no hydrogen 3.141 N/A ALA 409.A N ASN 406.A OD1 no hydrogen 2.843 N/A ARG 410.A N ASN 406.A O no hydrogen 3.287 N/A ARG 410.A NE ASP 405.A OD1 no hydrogen 2.694 N/A ARG 410.A NH1 ASP 405.A OD1 no hydrogen 2.591 N/A ARG 410.A NH1 ASP 405.A OD2 no hydrogen 3.560 N/A MET 411.A N LEU 408.A O no hydrogen 3.204 N/A ASP 413.A N ALA 409.A O no hydrogen 2.971 N/A HIS 414.A N MET 411.A O no hydrogen 3.256 N/A HIS 414.A ND1 ARG 410.A O no hydrogen 2.411 N/A LYS 415.A NZ ASP 540.A OD1 no hydrogen 2.322 N/A ALA 417.A N HIS 414.A O no hydrogen 2.840 N/A ILE 418.A N HIS 414.A O no hydrogen 3.389 N/A ILE 419.A N LYS 415.A O no hydrogen 2.920 N/A SER 420.A N GLU 416.A O no hydrogen 2.858 N/A SER 420.A OG GLU 416.A O no hydrogen 2.415 N/A SER 420.A OG ALA 417.A O no hydrogen 2.975 N/A HIS 421.A N ALA 417.A O no hydrogen 2.911 N/A HIS 421.A ND1 ALA 417.A O no hydrogen 2.795 N/A LEU 422.A N ILE 418.A O no hydrogen 2.921 N/A SER 423.A N ILE 419.A O no hydrogen 2.863 N/A TRP 424.A N HIS 421.A O no hydrogen 3.205 N/A ALA 425.A N HIS 421.A O no hydrogen 2.880 N/A SER 426.A N LEU 422.A O no hydrogen 2.934 N/A SER 426.A OG LEU 422.A O no hydrogen 2.499 N/A PHE 428.A N TRP 424.A O no hydrogen 2.831 N/A LEU 429.A N ALA 425.A O no hydrogen 2.914 N/A GLY 430.A N SER 426.A O no hydrogen 2.881 N/A PHE 431.A N LEU 427.A O no hydrogen 2.904 N/A HIS 432.A N PHE 428.A O no hydrogen 2.959 N/A HIS 432.A ND1 PHE 428.A O no hydrogen 2.882 N/A THR 433.A N LEU 429.A O no hydrogen 2.811 N/A THR 433.A OG1 LEU 429.A O no hydrogen 2.214 N/A LEU 434.A N GLY 430.A O no hydrogen 2.898 N/A GLY 435.A N PHE 431.A O no hydrogen 2.841 N/A LEU 436.A N HIS 432.A O no hydrogen 2.872 N/A TYR 437.A N THR 433.A O no hydrogen 2.912 N/A VAL 438.A N LEU 434.A O no hydrogen 2.837 N/A HIS 439.A N GLY 435.A O no hydrogen 2.825 N/A HIS 439.A NE2 LYS 451.A O no hydrogen 2.811 N/A ASN 440.A N LEU 436.A O no hydrogen 2.926 N/A ASN 440.A ND2 THR 614.A O no hydrogen 2.821 N/A ASP 441.A N TYR 437.A O no hydrogen 2.858 N/A VAL 442.A N VAL 438.A O no hydrogen 2.888 N/A MET 443.A N HIS 439.A O no hydrogen 2.863 N/A LEU 444.A N ASN 440.A O no hydrogen 2.911 N/A ALA 445.A N ASP 441.A O no hydrogen 2.863 N/A PHE 446.A N VAL 442.A O no hydrogen 2.705 N/A GLY 447.A N LEU 444.A O no hydrogen 3.325 N/A THR 448.A N MET 443.A O no hydrogen 2.780 N/A THR 448.A OG1 MET 443.A O no hydrogen 3.439 N/A GLU 450.A N GLU 450.A OE1 no hydrogen 2.673 N/A LYS 451.A N THR 448.A O no hydrogen 3.062 N/A GLN 452.A N PRO 449.A O no hydrogen 3.147 N/A ILE 453.A N ASN 440.A OD1 no hydrogen 2.951 N/A ILE 458.A N GLU 456.A O no hydrogen 2.914 N/A GLN 461.A N PRO 457.A O no hydrogen 3.015 N/A GLN 461.A NE2 GLU 456.A OE2 no hydrogen 2.857 N/A GLN 461.A NE2 ILE 512.A O no hydrogen 3.466 N/A TRP 462.A N ILE 458.A O no hydrogen 2.887 N/A GLN 464.A N ALA 460.A O no hydrogen 2.892 N/A GLN 464.A NE2 LEU 510.A O no hydrogen 2.992 N/A SER 465.A N GLN 461.A O no hydrogen 2.889 N/A SER 465.A OG GLN 461.A O no hydrogen 2.498 N/A HIS 467.A N GLN 464.A O no hydrogen 3.109 N/A LYS 469.A N GLN 464.A O no hydrogen 3.070 N/A LYS 469.A NZ ILE 501.A O no hydrogen 3.454 N/A LYS 469.A NZ PHE 509.A O no hydrogen 2.930 N/A TYR 472.A OH GLN 464.A OE1 no hydrogen 2.279 N/A SER 480.A N VAL 476.A O no hydrogen 2.458 N/A ASN 487.A N PRO 484.A O no hydrogen 3.437 N/A ALA 488.A N PRO 484.A O no hydrogen 3.173 N/A ILE 492.A N GLY 489.A O no hydrogen 3.296 N/A LEU 494.A N GLY 489.A O no hydrogen 3.145 N/A TRP 497.A N TRP 493.A O no hydrogen 2.965 N/A TRP 497.A NE1 HIS 467.A O no hydrogen 2.704 N/A LEU 498.A N LEU 494.A O no hydrogen 2.833 N/A ASN 499.A N PRO 495.A O no hydrogen 2.967 N/A ALA 500.A N GLY 496.A O no hydrogen 2.892 N/A ILE 501.A N TRP 497.A O no hydrogen 2.872 N/A ASN 502.A N LEU 498.A O no hydrogen 2.964 N/A GLU 503.A N ALA 500.A O no hydrogen 3.252 N/A SER 505.A OG GLU 503.A OE2 no hydrogen 2.814 N/A ASN 506.A ND2 ALA 500.A O no hydrogen 2.532 N/A SER 507.A OG HIS 598.A NE2 no hydrogen 2.756 N/A ILE 512.A N TYR 472.A OH no hydrogen 3.416 N/A GLY 513.A N ASP 516.A OD1 no hydrogen 2.792 N/A PHE 517.A N GLY 513.A O no hydrogen 3.104 N/A LEU 518.A N PRO 514.A O no hydrogen 2.963 N/A VAL 519.A N GLY 515.A O no hydrogen 2.925 N/A HIS 520.A N ASP 516.A O no hydrogen 2.867 N/A HIS 520.A ND1 ASP 516.A O no hydrogen 2.847 N/A HIS 521.A N PHE 517.A O no hydrogen 2.965 N/A HIS 521.A ND1 PHE 517.A O no hydrogen 3.213 N/A ALA 522.A N LEU 518.A O no hydrogen 2.942 N/A ILE 523.A N VAL 519.A O no hydrogen 2.870 N/A ALA 524.A N HIS 520.A O no hydrogen 2.865 N/A LEU 525.A N HIS 521.A O no hydrogen 2.863 N/A GLY 526.A N ALA 522.A O no hydrogen 2.911 N/A LEU 527.A N ILE 523.A O no hydrogen 2.895 N/A HIS 528.A N ALA 524.A O no hydrogen 2.858 N/A HIS 528.A ND1 ALA 524.A O no hydrogen 2.780 N/A THR 529.A N LEU 525.A O no hydrogen 2.875 N/A THR 529.A OG1 LEU 525.A O no hydrogen 2.482 N/A THR 530.A N GLY 526.A O no hydrogen 2.918 N/A THR 530.A OG1 GLY 526.A O no hydrogen 2.545 N/A THR 530.A OG1 THR 586.A OG1 no hydrogen 3.361 N/A THR 531.A N LEU 527.A O no hydrogen 2.879 N/A THR 531.A OG1 LEU 527.A O no hydrogen 2.541 N/A LEU 532.A N HIS 528.A O no hydrogen 2.799 N/A ILE 533.A N THR 529.A O no hydrogen 2.936 N/A LEU 534.A N THR 530.A O no hydrogen 2.964 N/A VAL 535.A N THR 531.A O no hydrogen 2.805 N/A LYS 536.A N LEU 532.A O no hydrogen 2.867 N/A GLY 537.A N ILE 533.A O no hydrogen 2.948 N/A ALA 538.A N LEU 534.A O no hydrogen 2.861 N/A LEU 539.A N VAL 535.A O no hydrogen 2.879 N/A ASP 540.A N LYS 536.A O no hydrogen 2.911 N/A ALA 541.A N ALA 538.A O no hydrogen 3.318 N/A ARG 542.A NH1 PHE 394.A O no hydrogen 2.904 N/A SER 544.A N MET 547.A O no hydrogen 3.288 N/A LYS 550.A NZ ASP 540.A O no hydrogen 2.667 N/A LYS 550.A NZ ILE 570.A O no hydrogen 2.666 N/A LYS 551.A N ARG 542.A O no hydrogen 3.281 N/A LYS 551.A NZ ASP 552.A OD1 no hydrogen 3.548 N/A ASP 552.A N ASP 549.A O no hydrogen 3.059 N/A PHE 553.A N LYS 550.A O no hydrogen 2.916 N/A GLY 554.A N LYS 551.A O no hydrogen 3.476 N/A ASP 560.A N THR 567.A OG1 no hydrogen 3.061 N/A ARG 564.A NE LEU 546.A O no hydrogen 2.888 N/A ARG 564.A NH1 ASP 560.A OD2 no hydrogen 2.486 N/A ARG 564.A NH2 LEU 546.A O no hydrogen 2.551 N/A ARG 564.A NH2 ASP 560.A OD2 no hydrogen 2.570 N/A THR 567.A N GLY 561.A O no hydrogen 3.293 N/A THR 567.A OG1 GLY 561.A O no hydrogen 2.340 N/A SER 571.A OG PHE 557.A O no hydrogen 3.023 N/A ALA 575.A N SER 571.A O no hydrogen 3.275 N/A PHE 576.A N ALA 572.A O no hydrogen 2.957 N/A TYR 577.A N TRP 573.A O no hydrogen 2.855 N/A LEU 578.A N ASP 574.A O no hydrogen 2.866 N/A ALA 579.A N ALA 575.A O no hydrogen 2.882 N/A VAL 580.A N PHE 576.A O no hydrogen 2.879 N/A TRP 582.A N LEU 578.A O no hydrogen 3.105 N/A MET 583.A N ALA 579.A O no hydrogen 2.761 N/A LEU 584.A N VAL 580.A O no hydrogen 2.883 N/A ASN 585.A N PHE 581.A O no hydrogen 2.953 N/A ASN 585.A ND2 TRP 582.A O no hydrogen 3.536 N/A THR 586.A N TRP 582.A O no hydrogen 2.902 N/A THR 586.A OG1 THR 530.A OG1 no hydrogen 3.361 N/A THR 586.A OG1 TRP 582.A O no hydrogen 2.594 N/A ILE 587.A N MET 583.A O no hydrogen 2.855 N/A GLY 588.A N LEU 584.A O no hydrogen 2.841 N/A TRP 589.A N ASN 585.A O no hydrogen 2.925 N/A VAL 590.A N THR 586.A O no hydrogen 2.937 N/A THR 591.A N ILE 587.A O no hydrogen 2.882 N/A THR 591.A OG1 ILE 587.A O no hydrogen 2.473 N/A THR 591.A OG1 GLY 588.A O no hydrogen 3.178 N/A PHE 592.A N GLY 588.A O no hydrogen 2.818 N/A TYR 593.A N TRP 589.A O no hydrogen 2.937 N/A TYR 593.A OH ASP 516.A OD2 no hydrogen 2.627 N/A TRP 594.A N VAL 590.A O no hydrogen 2.898 N/A HIS 595.A N THR 591.A O no hydrogen 2.824 N/A HIS 595.A ND1 TYR 623.A OH no hydrogen 2.942 N/A HIS 595.A NE2 THR 729.A OG1 no hydrogen 2.627 N/A TRP 596.A N PHE 592.A O no hydrogen 2.896 N/A LYS 597.A N TYR 593.A O no hydrogen 2.967 N/A LYS 597.A NZ THR 511.A O no hydrogen 3.510 N/A LYS 597.A NZ ASP 516.A OD2 no hydrogen 2.419 N/A HIS 598.A N TRP 594.A O no hydrogen 2.872 N/A HIS 598.A NE2 SER 507.A OG no hydrogen 2.756 N/A ILE 599.A N HIS 595.A O no hydrogen 2.820 N/A THR 600.A N TRP 596.A O no hydrogen 2.936 N/A THR 600.A OG1 TRP 596.A O no hydrogen 2.474 N/A THR 600.A OG1 LYS 597.A O no hydrogen 2.659 N/A LEU 601.A N LYS 597.A O no hydrogen 2.930 N/A TRP 602.A N HIS 598.A O no hydrogen 2.792 N/A GLN 603.A N ILE 599.A O no hydrogen 2.898 N/A GLY 604.A N THR 600.A O no hydrogen 2.991 N/A VAL 606.A N GLY 604.A O no hydrogen 3.080 N/A GLN 608.A N ASN 605.A O no hydrogen 3.210 N/A ASN 610.A N VAL 606.A O no hydrogen 2.946 N/A GLU 611.A N SER 607.A O no hydrogen 2.901 N/A SER 612.A N PHE 609.A O no hydrogen 3.232 N/A SER 612.A OG ASP 622.A OD2 no hydrogen 2.493 N/A SER 613.A N PHE 609.A O no hydrogen 2.794 N/A SER 613.A OG PHE 609.A O no hydrogen 2.245 N/A MET 617.A N ASP 441.A OD1 no hydrogen 3.225 N/A GLY 618.A N TYR 615.A O no hydrogen 2.859 N/A TRP 619.A NE1 SER 613.A O no hydrogen 2.887 N/A LEU 620.A N LEU 616.A O no hydrogen 2.921 N/A ARG 621.A N MET 617.A O no hydrogen 2.865 N/A ARG 621.A NE ASP 622.A OD1 no hydrogen 3.163 N/A ASP 622.A N GLY 618.A O no hydrogen 2.914 N/A TYR 623.A OH HIS 595.A ND1 no hydrogen 2.942 N/A LEU 624.A N TRP 619.A O no hydrogen 3.122 N/A TRP 625.A N LEU 620.A O no hydrogen 2.838 N/A LEU 626.A N ARG 621.A O no hydrogen 2.791 N/A ASN 627.A N TYR 623.A O no hydrogen 3.268 N/A SER 628.A OG LEU 624.A O no hydrogen 2.400 N/A SER 628.A OG TRP 625.A O no hydrogen 3.222 N/A SER 629.A N LEU 626.A O no hydrogen 3.482 N/A SER 629.A OG TRP 625.A O no hydrogen 3.532 N/A SER 629.A OG LEU 626.A O no hydrogen 3.080 N/A GLN 630.A NE2 GLY 731.A O no hydrogen 2.457 N/A ILE 632.A N SER 628.A O no hydrogen 3.094 N/A ASN 633.A N SER 629.A O no hydrogen 2.967 N/A ASN 633.A ND2 SER 629.A O no hydrogen 2.863 N/A GLY 634.A N LEU 631.A O no hydrogen 2.717 N/A ASN 636.A N ASN 636.A OD1 no hydrogen 2.469 N/A ASN 636.A N GLY 639.A O no hydrogen 3.091 N/A ASN 641.A N GLY 634.A O no hydrogen 3.063 N/A SER 642.A OG ALA 103.A O no hydrogen 3.135 N/A SER 644.A N ASN 641.A O no hydrogen 3.104 N/A ALA 647.A N LEU 643.A O no hydrogen 3.031 N/A TRP 648.A N SER 644.A O no hydrogen 2.936 N/A MET 649.A N VAL 645.A O no hydrogen 2.854 N/A PHE 650.A N TRP 646.A O no hydrogen 2.819 N/A LEU 651.A N ALA 647.A O no hydrogen 2.997 N/A PHE 652.A N TRP 648.A O no hydrogen 2.845 N/A GLY 653.A N MET 649.A O no hydrogen 2.814 N/A HIS 654.A N PHE 650.A O no hydrogen 2.956 N/A HIS 654.A ND1 PHE 650.A O no hydrogen 2.894 N/A LEU 655.A N LEU 651.A O no hydrogen 2.872 N/A VAL 656.A N PHE 652.A O no hydrogen 2.960 N/A TRP 657.A N GLY 653.A O no hydrogen 2.847 N/A ALA 658.A N HIS 654.A O no hydrogen 2.924 N/A THR 659.A N LEU 655.A O no hydrogen 2.863 N/A THR 659.A OG1 LEU 655.A O no hydrogen 2.375 N/A GLY 660.A N VAL 656.A O no hydrogen 2.936 N/A PHE 661.A N ALA 658.A O no hydrogen 3.220 N/A MET 662.A N THR 659.A O no hydrogen 2.954 N/A LEU 664.A N GLY 660.A O no hydrogen 2.969 N/A ILE 665.A N PHE 661.A O no hydrogen 2.840 N/A ARG 668.A NE LEU 700.A O no hydrogen 2.721 N/A ARG 668.A NH2 ALA 699.A O no hydrogen 3.081 N/A TRP 671.A NE1 SER 666.A OG no hydrogen 2.737 N/A GLU 673.A N GLY 669.A O no hydrogen 3.285 N/A LEU 674.A N TRP 671.A O no hydrogen 3.205 N/A ILE 675.A N TRP 671.A O no hydrogen 2.858 N/A GLU 676.A N GLN 672.A O no hydrogen 2.907 N/A THR 677.A OG1 LEU 674.A O no hydrogen 2.678 N/A LEU 678.A N LEU 674.A O no hydrogen 3.001 N/A ALA 679.A N ILE 675.A O no hydrogen 2.816 N/A TRP 680.A N GLU 676.A O no hydrogen 2.962 N/A ALA 681.A N THR 677.A O no hydrogen 2.922 N/A HIS 682.A N LEU 678.A O no hydrogen 2.906 N/A HIS 682.A NE2 ILE 691.A O no hydrogen 2.494 N/A GLU 683.A N ALA 679.A O no hydrogen 2.947 N/A THR 685.A OG1 ALA 681.A O no hydrogen 2.573 N/A ALA 688.A N THR 685.A O no hydrogen 3.211 N/A LYS 696.A N PRO 16.A O no hydrogen 2.943 N/A VAL 698.A N THR 18.A OG1 no hydrogen 3.278 N/A VAL 698.A N LYS 696.A O no hydrogen 2.824 N/A ALA 705.A N SER 701.A O no hydrogen 2.828 N/A ARG 706.A N ILE 702.A O no hydrogen 2.909 N/A ARG 706.A NH1 PRO 558.A O no hydrogen 3.466 N/A ARG 706.A NH2 PRO 558.A O no hydrogen 3.507 N/A LEU 707.A N VAL 703.A O no hydrogen 2.980 N/A VAL 708.A N GLN 704.A O no hydrogen 2.807 N/A GLY 709.A N ALA 705.A O no hydrogen 2.867 N/A LEU 710.A N ARG 706.A O no hydrogen 2.904 N/A ALA 711.A N LEU 707.A O no hydrogen 2.805 N/A HIS 712.A N VAL 708.A O no hydrogen 2.921 N/A HIS 712.A ND1 VAL 708.A O no hydrogen 2.845 N/A PHE 713.A N GLY 709.A O no hydrogen 2.840 N/A SER 714.A N LEU 710.A O no hydrogen 2.849 N/A SER 714.A OG LEU 710.A O no hydrogen 2.589 N/A VAL 715.A N ALA 711.A O no hydrogen 2.853 N/A GLY 716.A N HIS 712.A O no hydrogen 2.918 N/A TYR 717.A N PHE 713.A O no hydrogen 2.876 N/A TYR 717.A OH LEU 584.A O no hydrogen 2.604 N/A ILE 718.A N SER 714.A O no hydrogen 2.877 N/A PHE 719.A N VAL 715.A O no hydrogen 2.876 N/A THR 720.A N GLY 716.A O no hydrogen 2.843 N/A THR 720.A OG1 GLY 716.A O no hydrogen 2.429 N/A TYR 721.A N TYR 717.A O no hydrogen 2.992 N/A TYR 721.A OH THR 591.A O no hydrogen 2.704 N/A TYR 721.A OH TYR 623.A OH no hydrogen 3.263 N/A ALA 722.A N ILE 718.A O no hydrogen 2.861 N/A ALA 723.A N PHE 719.A O no hydrogen 2.907 N/A PHE 724.A N THR 720.A O no hydrogen 2.937 N/A LEU 725.A N TYR 721.A O no hydrogen 2.833 N/A ILE 726.A N ALA 722.A O no hydrogen 2.925 N/A ALA 727.A N ALA 723.A O no hydrogen 2.886 N/A SER 728.A N PHE 724.A O no hydrogen 2.994 N/A SER 728.A OG PHE 724.A O no hydrogen 3.264 N/A THR 729.A OG1 HIS 595.A NE2 no hydrogen 2.627 N/A THR 729.A OG1 LEU 725.A O no hydrogen 2.286 N/A SER 730.A N ALA 727.A O no hydrogen 3.333 N/A SER 730.A OG ILE 726.A O no hydrogen 2.680 N/A GLY 731.A N ALA 727.A O no hydrogen 2.634 N/A LYS 732.A NZ SER 728.A O no hydrogen 3.294 N/A