Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lig_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N TYR 2.A OH no hydrogen 3.335 N/A THR 6.A OG1 ASP 601.A OD1 no hydrogen 2.615 N/A THR 6.A OG1 ASP 601.A OD2 no hydrogen 3.485 N/A THR 7.A N ASP 5.A OD1 no hydrogen 2.789 N/A THR 7.A OG1 ASP 5.A OD1 no hydrogen 2.514 N/A THR 7.A OG1 ASP 5.A OD2 no hydrogen 3.561 N/A ALA 8.A N ASP 5.A O no hydrogen 3.197 N/A SER 15.A N ASN 13.A OD1 no hydrogen 2.883 N/A SER 15.A OG GLY 390.A O no hydrogen 3.422 N/A THR 16.A N ASN 13.A O no hydrogen 3.319 N/A THR 16.A OG1 ASN 13.A O no hydrogen 2.989 N/A LEU 17.A N LEU 14.A O no hydrogen 3.302 N/A ASN 20.A N ALA 394.A O no hydrogen 3.054 N/A THR 21.A N PRO 18.A O no hydrogen 3.184 N/A THR 21.A OG1 PRO 18.A O no hydrogen 2.550 N/A LEU 22.A N GLN 395.A O no hydrogen 2.693 N/A PHE 23.A N ASN 20.A O no hydrogen 3.075 N/A TRP 26.A NE1 SER 598.A O no hydrogen 2.870 N/A ARG 27.A NH2 PRO 34.A O no hydrogen 2.947 N/A ARG 29.A N ASP 578.A OD1 no hydrogen 2.845 N/A ARG 29.A NH1 GLY 626.A O no hydrogen 2.933 N/A ALA 30.A N ASP 578.A OD2 no hydrogen 2.808 N/A HIS 31.A ND1 ASP 578.A OD2 no hydrogen 2.663 N/A HIS 31.A NE2 GLU 583.A OE2 no hydrogen 2.636 N/A GLY 37.A N GLY 397.A O no hydrogen 3.099 N/A GLN 38.A N ASP 61.A OD1 no hydrogen 2.850 N/A ILE 39.A N THR 399.A O no hydrogen 2.946 N/A GLY 40.A N LEU 59.A O no hydrogen 2.765 N/A CYS 43.A N GLY 57.A O no hydrogen 2.935 N/A ALA 44.A N GLY 101.A O no hydrogen 2.899 N/A TYR 46.A N HIS 55.A O no hydrogen 3.088 N/A ASP 48.A N LEU 53.A O no hydrogen 2.871 N/A SER 50.A N ASP 48.A OD2 no hydrogen 3.158 N/A GLY 52.A N ASP 48.A O no hydrogen 2.534 N/A LEU 53.A N THR 51.A OG1 no hydrogen 3.086 N/A PHE 54.A N THR 70.A O no hydrogen 3.090 N/A HIS 55.A N TYR 46.A O no hydrogen 2.719 N/A VAL 56.A N ALA 68.A O no hydrogen 2.735 N/A GLY 57.A N HIS 45.A ND1 no hydrogen 3.193 N/A PHE 58.A N ALA 66.A O no hydrogen 3.028 N/A LEU 59.A N ASP 41.A O no hydrogen 2.759 N/A HIS 60.A N GLY 64.A O no hydrogen 2.983 N/A HIS 60.A ND1 GLN 38.A O no hydrogen 2.685 N/A ASP 61.A N GLN 38.A O no hydrogen 2.924 N/A ASP 63.A N HIS 60.A O no hydrogen 3.095 N/A ILE 65.A N ILE 87.A O no hydrogen 3.034 N/A ALA 66.A N PHE 58.A O no hydrogen 2.779 N/A GLY 67.A N SER 84.A O no hydrogen 3.014 N/A ALA 68.A N VAL 56.A O no hydrogen 2.974 N/A THR 69.A N THR 77.A O no hydrogen 2.906 N/A THR 70.A N PHE 54.A O no hydrogen 2.958 N/A THR 70.A OG1 THR 75.A O no hydrogen 2.663 N/A ASN 72.A N THR 70.A OG1 no hydrogen 3.252 N/A ASN 72.A ND2 THR 75.A OG1 no hydrogen 3.096 N/A LEU 73.A N THR 70.A OG1 no hydrogen 2.733 N/A ALA 74.A N ASN 72.A OD1 no hydrogen 2.771 N/A THR 75.A N ASN 72.A OD1 no hydrogen 2.868 N/A THR 75.A OG1 ASN 72.A OD1 no hydrogen 3.273 N/A TYR 76.A N ALA 630.A O no hydrogen 2.865 N/A THR 77.A N THR 69.A O no hydrogen 2.896 N/A THR 77.A OG1 GLU 633.A OE1 no hydrogen 2.935 N/A THR 79.A N GLY 67.A O no hydrogen 3.299 N/A THR 79.A OG1 GLY 67.A O no hydrogen 3.226 N/A THR 79.A OG1 SER 84.A OG no hydrogen 2.786 N/A SER 80.A N SER 84.A OG no hydrogen 3.182 N/A SER 80.A OG ASP 81.A O no hydrogen 3.430 N/A SER 84.A N ASP 81.A O no hydrogen 2.989 N/A SER 84.A OG GLY 67.A O no hydrogen 2.879 N/A SER 84.A OG THR 79.A OG1 no hydrogen 2.786 N/A LEU 86.A N ILE 65.A O no hydrogen 2.680 N/A ILE 87.A N ILE 65.A O no hydrogen 3.361 N/A GLN 88.A NE2 ASP 63.A O no hydrogen 3.249 N/A GLY 90.A N ASP 94.A O no hydrogen 2.808 N/A GLY 91.A N ASP 94.A OD1 no hydrogen 2.901 N/A ASN 93.A ND2 SER 138.A OG no hydrogen 3.315 N/A ASN 93.A ND2 GLN 154.A O no hydrogen 2.841 N/A VAL 96.A N VAL 119.A O no hydrogen 3.087 N/A ALA 97.A N VAL 119.A O no hydrogen 3.280 N/A PHE 99.A N THR 117.A O no hydrogen 2.932 N/A ALA 102.A N LEU 115.A O no hydrogen 2.991 N/A ILE 104.A N THR 113.A O no hydrogen 2.765 N/A GLY 107.A N THR 111.A O no hydrogen 2.883 N/A VAL 108.A N THR 113.A OG1 no hydrogen 2.864 N/A ASN 110.A N GLY 107.A O no hydrogen 2.799 N/A THR 111.A N VAL 108.A O no hydrogen 2.928 N/A THR 111.A OG1 VAL 108.A O no hydrogen 3.038 N/A THR 113.A N ILE 104.A O no hydrogen 2.741 N/A THR 113.A OG1 THR 111.A O no hydrogen 2.976 N/A LEU 114.A N ALA 140.A O no hydrogen 2.764 N/A LEU 115.A N ALA 102.A O no hydrogen 2.922 N/A TYR 116.A N SER 138.A O no hydrogen 2.933 N/A TYR 116.A OH ASP 94.A OD2 no hydrogen 2.576 N/A THR 117.A N ASP 100.A O no hydrogen 3.068 N/A SER 118.A N THR 136.A O no hydrogen 2.727 N/A SER 118.A OG THR 136.A O no hydrogen 3.170 N/A SER 118.A OG THR 136.A OG1 no hydrogen 2.658 N/A SER 118.A OG SER 138.A OG no hydrogen 2.642 N/A VAL 119.A N ALA 97.A O no hydrogen 2.905 N/A SER 120.A N SER 134.A O no hydrogen 2.992 N/A SER 120.A OG ASN 93.A O no hydrogen 3.162 N/A HIS 125.A NE2 SER 310.A OG no hydrogen 3.094 N/A TRP 126.A NE1 SER 310.A OG no hydrogen 2.944 N/A SER 127.A N HIS 125.A ND1 no hydrogen 3.020 N/A SER 127.A OG HIS 125.A ND1 no hydrogen 2.637 N/A ILE 128.A N HIS 125.A O no hydrogen 3.385 N/A TYR 130.A OH GLU 135.A OE1 no hydrogen 2.617 N/A ARG 132.A NE ASP 160.A OD1 no hydrogen 3.044 N/A ARG 132.A NE ASP 160.A OD2 no hydrogen 3.315 N/A ARG 132.A NH2 ASP 160.A OD2 no hydrogen 2.852 N/A SER 134.A N THR 131.A O no hydrogen 3.019 N/A SER 134.A OG THR 131.A O no hydrogen 2.493 N/A THR 136.A N SER 118.A O no hydrogen 3.000 N/A THR 136.A OG1 SER 118.A O no hydrogen 3.317 N/A THR 136.A OG1 SER 118.A OG no hydrogen 2.658 N/A GLN 137.A N ILE 158.A O no hydrogen 2.939 N/A GLN 137.A NE2 THR 117.A OG1 no hydrogen 2.720 N/A SER 138.A N TYR 116.A O no hydrogen 2.784 N/A SER 138.A OG SER 118.A OG no hydrogen 2.642 N/A ALA 140.A N LEU 114.A O no hydrogen 2.992 N/A VAL 141.A N ASP 150.A O no hydrogen 2.684 N/A ALA 142.A N PRO 112.A O no hydrogen 2.907 N/A ARG 143.A N ARG 148.A O no hydrogen 2.864 N/A GLY 146.A N ARG 143.A O no hydrogen 2.957 N/A ARG 147.A N ASP 144.A O no hydrogen 3.058 N/A ARG 147.A NH1 ASP 144.A O no hydrogen 3.206 N/A ARG 147.A NH1 ASP 144.A OD1 no hydrogen 3.506 N/A PHE 149.A N LEU 86.A O no hydrogen 2.952 N/A ASP 150.A N VAL 141.A O no hydrogen 2.780 N/A LYS 151.A NZ GLN 88.A O no hydrogen 2.686 N/A LYS 151.A NZ ASP 94.A OD1 no hydrogen 3.023 N/A LYS 151.A NZ ASP 94.A OD2 no hydrogen 3.201 N/A LEU 152.A N LEU 139.A O no hydrogen 2.963 N/A GLN 154.A N LEU 152.A O no hydrogen 2.899 N/A GLN 154.A NE2 GLY 155.A O no hydrogen 2.987 N/A GLN 154.A NE2 GLN 241.A OE1 no hydrogen 2.834 N/A VAL 157.A N GLN 137.A O no hydrogen 2.877 N/A ILE 158.A N GLN 137.A O no hydrogen 3.361 N/A HIS 161.A N ASP 160.A OD1 no hydrogen 2.852 N/A HIS 161.A ND1 PRO 162.A O no hydrogen 2.832 N/A VAL 165.A N PRO 162.A O no hydrogen 3.106 N/A VAL 167.A N VAL 165.A O no hydrogen 2.850 N/A THR 168.A N GLY 219.A O no hydrogen 2.969 N/A THR 168.A OG1 ASN 271.A OD1 no hydrogen 2.706 N/A PHE 170.A N GLU 135.A OE1 no hydrogen 2.802 N/A ARG 171.A N SER 217.A O no hydrogen 3.047 N/A ARG 171.A NH1 GLU 135.A OE2 no hydrogen 2.804 N/A ARG 171.A NH2 GLU 273.A OE2 no hydrogen 2.839 N/A ALA 172.A N THR 117.A OG1 no hydrogen 2.914 N/A PHE 174.A N ALA 215.A O no hydrogen 2.990 N/A PHE 176.A N TYR 213.A O no hydrogen 3.090 N/A ARG 177.A NE ALA 210.A O no hydrogen 3.019 N/A ARG 177.A NH1 GLU 207.A OE2 no hydrogen 2.490 N/A ARG 177.A NH2 ALA 210.A O no hydrogen 3.309 N/A ALA 179.A N PRO 287.A O no hydrogen 3.041 N/A ARG 180.A NE VAL 322.A O no hydrogen 2.771 N/A ARG 180.A NH2 VAL 322.A O no hydrogen 3.072 N/A LEU 181.A N SER 178.A OG no hydrogen 3.278 N/A ASP 182.A N SER 178.A O no hydrogen 3.135 N/A VAL 183.A N ALA 179.A O no hydrogen 2.839 N/A LEU 184.A N ARG 180.A O no hydrogen 2.876 N/A LEU 185.A N LEU 181.A O no hydrogen 3.000 N/A SER 186.A N ASP 182.A O no hydrogen 3.108 N/A SER 186.A N VAL 183.A O no hydrogen 3.090 N/A SER 186.A OG ASP 182.A O no hydrogen 3.334 N/A SER 186.A OG VAL 183.A O no hydrogen 2.966 N/A LEU 187.A N VAL 183.A O no hydrogen 2.936 N/A VAL 191.A N ASP 188.A O no hydrogen 3.041 N/A ALA 192.A N ASP 188.A O no hydrogen 2.658 N/A ARG 193.A NH2 GLU 327.A OE2 no hydrogen 3.465 N/A GLN 199.A N GLU 195.A O no hydrogen 2.933 N/A GLN 199.A NE2 GLN 199.A O no hydrogen 3.347 N/A GLN 199.A NE2 ASP 203.A OD1 no hydrogen 3.357 N/A GLN 200.A N THR 196.A O no hydrogen 3.269 N/A ALA 201.A N ALA 197.A O no hydrogen 3.243 N/A VAL 202.A N VAL 198.A O no hydrogen 3.049 N/A ASP 203.A N GLN 199.A O no hydrogen 3.095 N/A GLY 204.A N ALA 201.A O no hydrogen 3.222 N/A TRP 205.A N VAL 202.A O no hydrogen 2.980 N/A TRP 205.A NE1 ASP 182.A OD2 no hydrogen 2.703 N/A THR 206.A OG1 ASN 209.A OD1 no hydrogen 2.976 N/A ASN 209.A ND2 THR 206.A OG1 no hydrogen 2.871 N/A ALA 210.A N GLU 207.A O no hydrogen 3.008 N/A TRP 212.A N GLN 232.A OE1 no hydrogen 2.821 N/A TYR 213.A N PHE 176.A O no hydrogen 2.826 N/A TYR 213.A OH ASP 182.A OD1 no hydrogen 2.611 N/A VAL 214.A N TYR 230.A O no hydrogen 2.741 N/A ALA 215.A N PHE 174.A O no hydrogen 2.949 N/A VAL 216.A N PHE 228.A O no hydrogen 2.807 N/A SER 217.A N ARG 171.A O no hydrogen 2.805 N/A GLY 218.A N ALA 226.A O no hydrogen 3.034 N/A VAL 220.A N GLY 224.A O no hydrogen 2.827 N/A HIS 221.A N ASP 166.A O no hydrogen 2.820 N/A VAL 223.A N VAL 220.A O no hydrogen 2.977 N/A GLY 224.A N VAL 220.A O no hydrogen 2.993 N/A ALA 226.A N GLY 218.A O no hydrogen 3.010 N/A GLN 227.A N TRP 250.A O no hydrogen 2.855 N/A PHE 228.A N VAL 216.A O no hydrogen 2.771 N/A LEU 229.A N GLY 247.A O no hydrogen 2.954 N/A TYR 230.A N VAL 214.A O no hydrogen 2.813 N/A ARG 231.A N GLU 244.A O no hydrogen 3.055 N/A ARG 231.A NH1 TYR 213.A OH no hydrogen 3.213 N/A GLN 232.A N TRP 212.A O no hydrogen 3.045 N/A GLN 232.A NE2 ALA 237.A O no hydrogen 2.960 N/A GLN 232.A NE2 GLU 239.A O no hydrogen 2.850 N/A ASN 233.A N TYR 242.A O no hydrogen 2.870 N/A GLY 234.A N GLU 244.A OE1 no hydrogen 2.937 N/A GLY 235.A N GLN 232.A O no hydrogen 2.813 N/A ASN 236.A N ASN 233.A O no hydrogen 3.167 N/A SER 238.A N ASN 236.A OD1 no hydrogen 2.910 N/A GLU 239.A N ASN 236.A O no hydrogen 2.851 N/A GLN 241.A N GLU 239.A OE2 no hydrogen 2.854 N/A GLN 241.A NE2 GLN 154.A OE1 no hydrogen 2.942 N/A TYR 242.A N GLU 239.A OE2 no hydrogen 3.062 N/A TRP 243.A NE1 PHE 240.A O no hydrogen 2.845 N/A GLU 244.A N ARG 231.A O no hydrogen 2.826 N/A LEU 246.A N LEU 229.A O no hydrogen 2.765 N/A TRP 249.A N GLY 247.A O no hydrogen 3.050 N/A TRP 249.A NE1 GLN 227.A OE1 no hydrogen 2.963 N/A TRP 250.A NE1 GLU 252.A OE2 no hydrogen 2.875 N/A GLU 252.A N PRO 225.A O no hydrogen 3.147 N/A THR 254.A N VAL 223.A O no hydrogen 2.996 N/A ASN 255.A N GLY 269.A O no hydrogen 2.708 N/A SER 256.A N ALA 253.A O no hydrogen 2.902 N/A SER 256.A OG ALA 253.A O no hydrogen 2.834 N/A TRP 258.A NE1 VAL 427.A O no hydrogen 2.955 N/A TRP 264.A NE1 GLU 424.A OE2 no hydrogen 2.943 N/A ARG 267.A NE ASN 255.A O no hydrogen 2.988 N/A ARG 267.A NH2 ASN 255.A O no hydrogen 3.111 N/A TRP 268.A N SER 256.A O no hydrogen 2.953 N/A PHE 270.A N GLU 299.A O no hydrogen 2.848 N/A ASN 271.A ND2 GLU 299.A OE1 no hydrogen 2.841 N/A PHE 272.A N GLY 218.A O no hydrogen 2.832 N/A GLU 273.A N GLY 297.A O no hydrogen 2.800 N/A GLY 275.A N SER 217.A OG no hydrogen 3.065 N/A ASN 276.A N THR 295.A O no hydrogen 2.902 N/A LEU 278.A N PHE 293.A O no hydrogen 2.824 N/A PHE 279.A N HIS 285.A NE2 no hydrogen 3.389 N/A LEU 280.A N GLU 291.A O no hydrogen 2.822 N/A THR 281.A N GLY 284.A O no hydrogen 2.863 N/A THR 281.A OG1 GLU 283.A OE1 no hydrogen 3.459 N/A THR 281.A OG1 GLY 284.A O no hydrogen 3.338 N/A GLU 283.A N THR 281.A OG1 no hydrogen 3.075 N/A GLY 284.A N THR 281.A OG1 no hydrogen 2.891 N/A HIS 285.A N ASP 372.A O no hydrogen 2.974 N/A ASP 286.A N PHE 279.A O no hydrogen 2.879 N/A GLN 288.A N ASP 286.A OD1 no hydrogen 2.703 N/A GLN 288.A NE2 VAL 202.A O no hydrogen 2.959 N/A THR 289.A N ASP 286.A OD1 no hydrogen 2.961 N/A GLY 290.A N ASP 286.A O no hydrogen 2.706 N/A GLU 291.A N LEU 280.A O no hydrogen 2.607 N/A PHE 293.A N LEU 278.A O no hydrogen 2.975 N/A VAL 294.A N ALA 318.A O no hydrogen 2.768 N/A THR 295.A N ASN 276.A O no hydrogen 3.127 N/A LEU 296.A N LEU 316.A O no hydrogen 2.933 N/A GLY 297.A N GLU 273.A O no hydrogen 2.983 N/A THR 298.A N ASP 314.A O no hydrogen 2.930 N/A THR 298.A OG1 ARG 267.A O no hydrogen 2.889 N/A GLU 299.A N ASN 271.A O no hydrogen 3.055 N/A GLY 300.A N ILE 312.A O no hydrogen 2.704 N/A SER 301.A OG GLY 302.A O no hydrogen 2.842 N/A GLN 308.A N SER 127.A OG no hydrogen 2.641 N/A VAL 309.A N VAL 306.A O no hydrogen 3.009 N/A SER 310.A OG HIS 125.A NE2 no hydrogen 3.094 N/A SER 310.A OG GLU 299.A OE2 no hydrogen 2.571 N/A SER 311.A OG GLY 300.A O no hydrogen 3.522 N/A ILE 312.A N GLY 300.A O no hydrogen 3.141 N/A ASP 314.A N THR 298.A O no hydrogen 3.070 N/A LEU 316.A N LEU 296.A O no hydrogen 2.872 N/A TRP 317.A N GLY 341.A O no hydrogen 2.989 N/A ALA 318.A N VAL 294.A O no hydrogen 2.775 N/A ALA 319.A N MET 339.A O no hydrogen 2.917 N/A GLY 320.A N VAL 292.A O no hydrogen 3.063 N/A GLU 321.A N SER 336.A O no hydrogen 3.232 N/A GLY 323.A N GLU 334.A O no hydrogen 3.110 N/A GLY 325.A N LYS 332.A O no hydrogen 2.896 N/A GLN 328.A NE2 ALA 331.A O no hydrogen 2.992 N/A GLN 328.A NE2 GLU 334.A OE2 no hydrogen 3.102 N/A GLY 330.A N GLN 328.A OE1 no hydrogen 3.158 N/A LYS 332.A N LEU 246.A O no hydrogen 2.875 N/A GLU 334.A N GLY 323.A O no hydrogen 2.894 N/A PHE 335.A N TRP 249.A O no hydrogen 2.633 N/A SER 336.A N GLU 321.A O no hydrogen 2.995 N/A SER 338.A N ALA 319.A O no hydrogen 2.828 N/A SER 338.A OG ALA 319.A O no hydrogen 3.152 N/A MET 339.A N ALA 319.A O no hydrogen 3.387 N/A ALA 340.A N VAL 427.A O no hydrogen 3.429 N/A GLY 341.A N TRP 317.A O no hydrogen 2.948 N/A LEU 343.A N MET 315.A O no hydrogen 2.781 N/A TRP 345.A N ALA 591.A O no hydrogen 2.867 N/A GLY 346.A N ASP 344.A OD2 no hydrogen 2.789 N/A PHE 347.A N GLU 551.A OE1 no hydrogen 2.733 N/A ALA 349.A N GLY 346.A O no hydrogen 3.018 N/A TYR 350.A N TRP 379.A O no hydrogen 2.777 N/A TYR 350.A OH GLU 273.A OE1 no hydrogen 2.467 N/A ALA 353.A N PHE 377.A O no hydrogen 2.966 N/A LYS 355.A N VAL 375.A O no hydrogen 2.965 N/A LYS 355.A NZ VAL 103.A O no hydrogen 2.773 N/A LEU 357.A N ARG 373.A O no hydrogen 2.775 N/A ALA 359.A N ASP 372.A OD1 no hydrogen 2.818 N/A SER 361.A N PRO 358.A O no hydrogen 2.927 N/A SER 361.A OG PRO 358.A O no hydrogen 2.751 N/A ALA 362.A N GLY 52.A O no hydrogen 2.727 N/A SER 364.A N SER 361.A OG no hydrogen 3.018 N/A SER 364.A OG PRO 358.A O no hydrogen 3.283 N/A SER 364.A OG SER 361.A OG no hydrogen 3.191 N/A LYS 365.A N SER 361.A O no hydrogen 2.991 N/A THR 366.A N ALA 362.A O no hydrogen 3.176 N/A THR 366.A OG1 ALA 362.A O no hydrogen 2.945 N/A SER 367.A N VAL 363.A O no hydrogen 3.126 N/A SER 367.A OG VAL 363.A O no hydrogen 3.234 N/A SER 367.A OG GLU 451.A OE2 no hydrogen 2.621 N/A VAL 369.A N SER 364.A O no hydrogen 2.832 N/A ARG 373.A N LEU 357.A O no hydrogen 3.019 N/A ARG 373.A NH1 GLU 407.A OE2 no hydrogen 2.954 N/A ARG 373.A NH1 GLU 451.A OE1 no hydrogen 2.901 N/A ARG 373.A NH1 GLU 451.A OE2 no hydrogen 3.348 N/A ARG 373.A NH2 SER 364.A OG no hydrogen 3.098 N/A ARG 373.A NH2 GLU 451.A OE2 no hydrogen 2.776 N/A VAL 375.A N LYS 355.A O no hydrogen 3.114 N/A SER 376.A N ARG 406.A O no hydrogen 2.778 N/A PHE 377.A N ALA 353.A O no hydrogen 3.003 N/A TRP 379.A N TYR 350.A O no hydrogen 2.783 N/A TRP 379.A NE1 ILE 39.A O no hydrogen 2.896 N/A LEU 380.A N SER 401.A O no hydrogen 2.975 N/A THR 381.A N SER 348.A O no hydrogen 2.992 N/A GLN 384.A NE2 GLY 545.A O no hydrogen 3.691 N/A TYR 385.A N THR 381.A OG1 no hydrogen 3.088 N/A TYR 385.A OH PHE 347.A O no hydrogen 2.792 N/A GLU 386.A N ASP 383.A OD1 no hydrogen 2.887 N/A GLN 387.A N ASP 383.A O no hydrogen 3.123 N/A GLN 387.A N GLN 384.A O no hydrogen 3.124 N/A GLN 387.A NE2 GLU 386.A O no hydrogen 3.483 N/A ALA 388.A N ASP 383.A O no hydrogen 3.074 N/A THR 393.A N PHE 391.A O no hydrogen 2.666 N/A GLN 395.A NE2 LEU 17.A O no hydrogen 2.807 N/A GLN 396.A N PRO 392.A O no hydrogen 3.024 N/A GLN 396.A N THR 393.A O no hydrogen 3.199 N/A GLY 397.A N THR 393.A O no hydrogen 3.025 N/A TRP 398.A NE1 PHE 23.A O no hydrogen 2.873 N/A THR 399.A N GLY 37.A O no hydrogen 3.025 N/A SER 401.A N LEU 380.A O no hydrogen 3.286 N/A SER 401.A OG ILE 32.A O no hydrogen 3.469 N/A SER 401.A OG LEU 402.A O no hydrogen 2.819 N/A LEU 402.A N ILE 32.A O no hydrogen 2.945 N/A LEU 403.A N VAL 378.A O no hydrogen 2.797 N/A LEU 404.A N GLU 583.A OE2 no hydrogen 2.995 N/A ARG 406.A N SER 376.A O no hydrogen 2.971 N/A ARG 406.A NE TYR 585.A OH no hydrogen 2.899 N/A ARG 406.A NH1 ASP 344.A OD1 no hydrogen 2.752 N/A ARG 406.A NH2 ASP 344.A OD1 no hydrogen 3.134 N/A ARG 406.A NH2 GLU 583.A OE1 no hydrogen 2.835 N/A ARG 406.A NH2 TYR 585.A OH no hydrogen 3.429 N/A ARG 406.A NH2 SER 593.A OG no hydrogen 3.054 N/A GLU 407.A N THR 447.A O no hydrogen 2.718 N/A LEU 408.A N TYR 374.A O no hydrogen 3.001 N/A LYS 409.A N GLY 445.A O no hydrogen 3.311 N/A VAL 410.A N THR 281.A O no hydrogen 2.778 N/A GLN 411.A N THR 443.A O no hydrogen 2.895 N/A GLN 411.A NE2 THR 412.A O no hydrogen 2.924 N/A VAL 413.A N LEU 441.A O no hydrogen 3.004 N/A VAL 416.A N ALA 439.A O no hydrogen 3.038 N/A VAL 417.A N ASP 559.A O no hydrogen 2.744 N/A ASP 418.A N GLN 437.A O no hydrogen 2.965 N/A ASN 419.A ND2 ASP 559.A OD2 no hydrogen 3.094 N/A LEU 421.A N ASN 419.A OD1 no hydrogen 2.825 N/A VAL 422.A N ASN 419.A O no hydrogen 2.884 N/A ARG 423.A N ASN 419.A O no hydrogen 3.105 N/A ARG 423.A N GLU 420.A O no hydrogen 3.096 N/A ARG 423.A NE ASP 418.A OD1 no hydrogen 2.769 N/A ARG 423.A NH2 ASP 418.A OD1 no hydrogen 3.495 N/A ARG 423.A NH2 ASP 418.A OD2 no hydrogen 2.709 N/A SER 428.A OG ALA 340.A O no hydrogen 2.599 N/A TRP 429.A NE1 VAL 422.A O no hydrogen 3.221 N/A VAL 430.A N ARG 442.A O no hydrogen 2.991 N/A GLY 432.A N THR 440.A O no hydrogen 2.639 N/A SER 434.A OG ASP 418.A OD2 no hydrogen 2.460 N/A SER 434.A OG THR 438.A O no hydrogen 3.281 N/A ASP 435.A N THR 438.A O no hydrogen 3.283 N/A ASN 436.A N SER 434.A OG no hydrogen 3.012 N/A THR 438.A OG1 GLN 437.A OE1 no hydrogen 2.869 N/A ALA 439.A N VAL 416.A O no hydrogen 2.693 N/A THR 440.A N GLU 433.A O no hydrogen 3.030 N/A LEU 441.A N VAL 413.A O no hydrogen 2.734 N/A ARG 442.A N VAL 430.A O no hydrogen 2.996 N/A ARG 442.A NH1 GLU 291.A OE1 no hydrogen 3.354 N/A ARG 442.A NH2 GLU 291.A OE1 no hydrogen 3.140 N/A THR 443.A N GLN 411.A O no hydrogen 2.908 N/A THR 443.A OG1 SER 428.A O no hydrogen 2.596 N/A GLY 445.A N LYS 409.A O no hydrogen 2.757 N/A ILE 446.A N GLY 588.A O no hydrogen 2.822 N/A THR 447.A N GLU 407.A O no hydrogen 3.214 N/A ALA 449.A N PRO 405.A O no hydrogen 2.804 N/A ARG 450.A N GLU 407.A OE2 no hydrogen 3.033 N/A ARG 450.A NE GLU 407.A OE1 no hydrogen 3.485 N/A ARG 450.A NE GLU 407.A OE2 no hydrogen 2.990 N/A ARG 450.A NH2 GLU 407.A OE1 no hydrogen 2.928 N/A GLU 451.A N GLU 451.A OE1 no hydrogen 2.714 N/A THR 452.A N ALA 449.A O no hydrogen 2.880 N/A THR 452.A OG1 LEU 73.A O no hydrogen 2.796 N/A LYS 453.A N ALA 449.A O no hydrogen 2.997 N/A ALA 454.A N ARG 450.A O no hydrogen 2.810 N/A ALA 455.A N GLU 451.A O no hydrogen 3.024 N/A LEU 456.A N THR 452.A O no hydrogen 2.877 N/A LEU 457.A N LYS 453.A O no hydrogen 3.306 N/A LEU 457.A N ALA 454.A O no hydrogen 3.257 N/A ALA 458.A N ALA 454.A O no hydrogen 2.760 N/A GLY 460.A N LEU 457.A O no hydrogen 2.926 N/A SER 461.A N GLU 625.A O no hydrogen 3.082 N/A THR 463.A N VAL 623.A O no hydrogen 2.893 N/A GLU 465.A N VAL 621.A O no hydrogen 3.032 N/A ARG 468.A N PHE 618.A O no hydrogen 3.205 N/A LEU 470.A N VAL 616.A O no hydrogen 2.960 N/A GLN 471.A NE2 GLU 615.A OE1 no hydrogen 2.823 N/A ALA 474.A N HIS 610.A O no hydrogen 2.898 N/A VAL 476.A N PHE 608.A O no hydrogen 2.909 N/A PHE 478.A N ILE 606.A O no hydrogen 3.012 N/A ALA 479.A N GLU 465.A OE1 no hydrogen 2.887 N/A SER 481.A OG ILE 606.A O no hydrogen 3.524 N/A SER 483.A N GLU 625.A OE2 no hydrogen 2.911 N/A SER 484.A OG GLU 625.A OE2 no hydrogen 2.680 N/A LYS 485.A NZ SER 598.A OG no hydrogen 2.786 N/A LYS 485.A NZ TYR 600.A O no hydrogen 2.788 N/A PHE 487.A N VAL 577.A O no hydrogen 2.961 N/A VAL 488.A N SER 624.A O no hydrogen 2.786 N/A LEU 489.A N VAL 575.A O no hydrogen 2.724 N/A THR 490.A N SER 622.A O no hydrogen 2.941 N/A THR 490.A OG1 SER 622.A O no hydrogen 3.090 N/A ALA 491.A N LEU 573.A O no hydrogen 3.134 N/A GLN 492.A N ARG 619.A O no hydrogen 2.952 N/A LEU 493.A N LEU 571.A O no hydrogen 2.883 N/A GLU 494.A N GLN 617.A O no hydrogen 2.914 N/A ALA 499.A N PRO 496.A O no hydrogen 2.860 N/A ARG 500.A N ALA 497.A O no hydrogen 3.392 N/A ARG 500.A NE ASP 559.A OD1 no hydrogen 3.345 N/A ARG 500.A NH1 LEU 557.A O no hydrogen 3.005 N/A ARG 500.A NH2 LEU 557.A O no hydrogen 2.372 N/A ARG 500.A NH2 ASP 559.A OD1 no hydrogen 3.004 N/A SER 501.A OG SER 498.A O no hydrogen 3.500 N/A SER 502.A N ALA 499.A O no hydrogen 3.036 N/A SER 502.A OG ALA 499.A O no hydrogen 2.927 N/A LEU 504.A N SER 502.A OG no hydrogen 3.203 N/A GLN 505.A N ASN 611.A OD1 no hydrogen 3.144 N/A GLN 505.A NE2 GLN 523.A OE1 no hydrogen 2.685 N/A SER 506.A N TYR 522.A O no hydrogen 3.154 N/A SER 506.A OG HIS 610.A ND1 no hydrogen 2.845 N/A GLY 507.A N PHE 609.A O no hydrogen 2.864 N/A PHE 508.A N ILE 520.A O no hydrogen 2.883 N/A GLU 509.A N ARG 607.A O no hydrogen 2.825 N/A ILE 510.A N THR 518.A O no hydrogen 2.665 N/A ALA 512.A N GLN 605.A O no hydrogen 3.153 N/A SER 513.A N GLU 516.A O no hydrogen 2.828 N/A SER 513.A OG SER 603.A OG no hydrogen 2.756 N/A ARG 517.A N GLN 535.A O no hydrogen 2.915 N/A THR 518.A N ILE 510.A O no hydrogen 2.901 N/A THR 518.A OG1 THR 536.A OG1 no hydrogen 2.822 N/A ALA 519.A N ASP 532.A O no hydrogen 3.155 N/A ILE 520.A N PHE 508.A O no hydrogen 2.890 N/A TYR 521.A N VAL 530.A O no hydrogen 3.009 N/A TYR 522.A N SER 506.A O no hydrogen 2.799 N/A TYR 522.A OH LEU 555.A O no hydrogen 2.603 N/A GLN 523.A N SER 528.A O no hydrogen 2.811 N/A GLN 523.A NE2 ASN 526.A OD1 no hydrogen 3.404 N/A GLU 527.A N PHE 524.A O no hydrogen 2.965 N/A SER 528.A N GLN 523.A O no hydrogen 2.860 N/A SER 528.A OG ASN 526.A O no hydrogen 2.706 N/A LEU 529.A N GLY 553.A O no hydrogen 2.703 N/A VAL 530.A N TYR 521.A O no hydrogen 2.811 N/A VAL 531.A N GLU 551.A O no hydrogen 2.791 N/A ASP 532.A N ALA 519.A O no hydrogen 2.740 N/A ARG 533.A NE PHE 549.A O no hydrogen 2.935 N/A ARG 533.A NH1 ASP 547.A OD2 no hydrogen 2.810 N/A ARG 533.A NH1 TRP 595.A O no hydrogen 3.104 N/A ARG 533.A NH2 ASP 547.A OD2 no hydrogen 2.737 N/A ARG 533.A NH2 PHE 549.A O no hydrogen 2.962 N/A SER 534.A N ASP 532.A OD1 no hydrogen 2.869 N/A SER 534.A OG ASP 532.A OD1 no hydrogen 2.638 N/A THR 536.A N ARG 533.A O no hydrogen 3.253 N/A THR 536.A OG1 THR 518.A OG1 no hydrogen 2.822 N/A SER 537.A OG ARG 597.A O no hydrogen 2.860 N/A ALA 538.A N GLU 516.A OE2 no hydrogen 2.767 N/A ALA 539.A N SER 537.A OG no hydrogen 3.229 N/A ALA 540.A N SER 537.A O no hydrogen 2.985 N/A THR 542.A OG1 THR 12.A O no hydrogen 2.975 N/A THR 542.A OG1 ASN 543.A OD1 no hydrogen 3.230 N/A ASN 543.A N ALA 540.A O no hydrogen 3.023 N/A LEU 546.A N ASN 543.A O no hydrogen 3.067 N/A GLU 551.A N VAL 531.A O no hydrogen 3.132 N/A GLY 553.A N LEU 529.A O no hydrogen 2.874 N/A LYS 554.A NZ ASN 526.A O no hydrogen 3.070 N/A LEU 555.A N GLU 527.A O no hydrogen 2.760 N/A ARG 556.A NE GLU 527.A OE1 no hydrogen 3.517 N/A ARG 556.A NE GLU 527.A OE2 no hydrogen 3.015 N/A ARG 556.A NH1 LEU 421.A O no hydrogen 2.683 N/A ARG 556.A NH1 GLU 424.A OE1 no hydrogen 2.991 N/A ARG 556.A NH2 GLU 424.A OE1 no hydrogen 2.611 N/A ARG 556.A NH2 GLU 527.A OE1 no hydrogen 3.103 N/A PHE 558.A N GLU 569.A OE1 no hydrogen 3.272 N/A VAL 560.A N GLN 567.A O no hydrogen 2.932 N/A ILE 561.A N ASN 415.A O no hydrogen 2.889 N/A GLU 562.A N GLN 565.A O no hydrogen 2.944 N/A GLN 567.A N VAL 560.A O no hydrogen 2.869 N/A GLN 567.A NE2 VAL 568.A O no hydrogen 3.201 N/A GLU 569.A N PHE 558.A O no hydrogen 2.731 N/A LEU 571.A N LEU 493.A O no hydrogen 3.042 N/A LEU 573.A N ALA 491.A O no hydrogen 2.794 N/A THR 574.A N TYR 585.A O no hydrogen 2.974 N/A VAL 575.A N LEU 489.A O no hydrogen 2.683 N/A VAL 576.A N GLU 583.A O no hydrogen 2.917 N/A VAL 577.A N PHE 487.A O no hydrogen 2.825 N/A ASP 578.A N VAL 581.A O no hydrogen 2.899 N/A ASN 579.A N LYS 485.A O no hydrogen 2.752 N/A ASN 579.A ND2 HIS 24.A O no hydrogen 3.462 N/A ASN 579.A ND2 LEU 25.A O no hydrogen 3.410 N/A ASN 579.A ND2 ARG 27.A O no hydrogen 2.715 N/A VAL 581.A N ASP 578.A O no hydrogen 3.080 N/A VAL 582.A N THR 594.A O no hydrogen 3.060 N/A GLU 583.A N VAL 576.A O no hydrogen 2.967 N/A VAL 584.A N LEU 592.A O no hydrogen 2.758 N/A TYR 585.A N THR 574.A O no hydrogen 2.823 N/A TYR 585.A OH GLU 583.A OE1 no hydrogen 2.505 N/A ALA 586.A N PHE 590.A O no hydrogen 2.998 N/A ASN 587.A N ASP 572.A O no hydrogen 3.029 N/A ASN 587.A ND2 ASP 572.A O no hydrogen 3.327 N/A ARG 589.A N ALA 586.A O no hydrogen 3.034 N/A ARG 589.A NH1 GLU 569.A OE2 no hydrogen 3.138 N/A ARG 589.A NH2 ARG 556.A O no hydrogen 2.928 N/A ARG 589.A NH2 GLU 569.A OE1 no hydrogen 2.777 N/A ARG 589.A NH2 GLU 569.A OE2 no hydrogen 3.478 N/A LEU 592.A N VAL 584.A O no hydrogen 2.845 N/A SER 593.A N ASP 344.A OD2 no hydrogen 2.921 N/A SER 593.A OG ASP 344.A OD1 no hydrogen 2.672 N/A THR 594.A N VAL 582.A O no hydrogen 2.988 N/A THR 594.A OG1 GLU 551.A OE2 no hydrogen 2.729 N/A TRP 595.A NE1 THR 381.A O no hydrogen 3.020 N/A ALA 596.A N ALA 580.A O no hydrogen 2.729 N/A ARG 597.A NH2 GLY 382.A O no hydrogen 3.127 N/A SER 598.A N ALA 596.A O no hydrogen 3.024 N/A TRP 599.A N GLU 516.A OE1 no hydrogen 3.250 N/A TRP 599.A N GLU 516.A OE2 no hydrogen 2.711 N/A TRP 599.A NE1 ALA 8.A O no hydrogen 2.821 N/A TYR 600.A N GLU 516.A OE1 no hydrogen 2.988 N/A ASP 601.A N THR 6.A O no hydrogen 2.951 N/A SER 603.A N TYR 600.A O no hydrogen 3.151 N/A SER 603.A OG SER 513.A OG no hydrogen 2.756 N/A SER 603.A OG GLU 516.A OE1 no hydrogen 2.673 N/A THR 604.A N ASN 602.A O no hydrogen 2.812 N/A THR 604.A OG1 PRO 482.A O no hydrogen 2.794 N/A GLN 605.A N ALA 512.A O no hydrogen 2.973 N/A ILE 606.A N SER 481.A OG no hydrogen 3.133 N/A ARG 607.A N GLU 509.A O no hydrogen 2.898 N/A ARG 607.A NH1 SER 513.A O no hydrogen 3.352 N/A ARG 607.A NH2 GLU 509.A OE1 no hydrogen 2.816 N/A PHE 608.A N VAL 476.A O no hydrogen 2.731 N/A PHE 609.A N GLY 507.A O no hydrogen 2.980 N/A HIS 610.A N ALA 474.A O no hydrogen 3.056 N/A HIS 610.A ND1 SER 506.A OG no hydrogen 2.845 N/A HIS 610.A NE2 GLY 614.A O no hydrogen 3.033 N/A ASN 611.A N GLN 505.A O no hydrogen 3.045 N/A ASN 611.A ND2 PRO 503.A O no hydrogen 2.823 N/A GLU 613.A N ASN 611.A OD1 no hydrogen 2.958 N/A VAL 616.A N LEU 470.A O no hydrogen 3.047 N/A GLN 617.A N GLU 494.A O no hydrogen 3.051 N/A PHE 618.A N ARG 468.A O no hydrogen 2.778 N/A ARG 619.A N GLN 492.A O no hydrogen 2.889 N/A ASN 620.A N ASP 467.A OD1 no hydrogen 3.091 N/A SER 622.A N THR 490.A O no hydrogen 2.927 N/A SER 622.A OG THR 463.A O no hydrogen 3.384 N/A VAL 623.A N THR 463.A O no hydrogen 2.794 N/A SER 624.A N VAL 488.A O no hydrogen 2.977 N/A GLU 625.A N SER 461.A O no hydrogen 2.905 N/A GLY 626.A N PHE 486.A O no hydrogen 2.761 N/A TYR 628.A OH ALA 74.A O no hydrogen 2.667 N/A ALA 630.A N ARG 29.A O no hydrogen 2.797 N/A TRP 631.A N ASN 629.A OD1 no hydrogen 2.923 N/A TRP 631.A NE1 HIS 31.A O no hydrogen 2.929 N/A ARG 634.A N TRP 631.A O no hydrogen 3.185 N/A ARG 634.A NE ASP 78.A OD2 no hydrogen 2.949 N/A ARG 634.A NH1 LEU 33.A O no hydrogen 2.903 N/A ARG 634.A NH2 LEU 33.A O no hydrogen 2.838 N/A ARG 634.A NH2 ASP 78.A OD1 no hydrogen 2.822 N/A