Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3edf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N HIS 26.A O no hydrogen 2.697 N/A HIS 6.A N HIS 26.A O no hydrogen 3.065 N/A GLU 8.A N MET 24.A O no hydrogen 3.026 N/A TRP 12.A N ARG 87.A O no hydrogen 2.996 N/A ALA 14.A N LEU 89.A O no hydrogen 2.965 N/A GLN 17.A N GLU 329.A OE1 no hydrogen 2.800 N/A HIS 18.A N GLU 329.A OE2 no hydrogen 2.933 N/A LYS 19.A NZ MET 16.A O no hydrogen 3.132 N/A LYS 19.A NZ GLN 17.A O no hydrogen 3.274 N/A LEU 21.A N LEU 60.A O no hydrogen 2.874 N/A GLN 22.A N GLN 292.A OE1 no hydrogen 2.856 N/A LEU 23.A N VAL 58.A O no hydrogen 2.784 N/A MET 24.A N GLU 8.A O no hydrogen 2.805 N/A VAL 25.A N LEU 56.A O no hydrogen 2.772 N/A HIS 26.A N HIS 6.A O no hydrogen 2.898 N/A GLY 27.A N ASN 54.A O no hydrogen 3.041 N/A ASP 29.A N ASN 54.A OD1 no hydrogen 2.977 N/A ILE 30.A N GLY 27.A O no hydrogen 3.063 N/A GLY 31.A N ALA 53.A O no hydrogen 2.823 N/A ARG 32.A N ASP 29.A O no hydrogen 2.914 N/A MET 33.A N ILE 30.A O no hydrogen 3.006 N/A GLU 34.A N LYS 76.A O no hydrogen 2.766 N/A ALA 36.A N VAL 74.A O no hydrogen 2.748 N/A TYR 39.A OH GLN 67.A O no hydrogen 2.617 N/A VAL 42.A N TYR 39.A O no hydrogen 3.045 N/A ARG 43.A N GLU 61.A O no hydrogen 2.929 N/A VAL 45.A N ASP 59.A O no hydrogen 2.816 N/A ASN 52.A ND2 ASP 231.A OD1 no hydrogen 2.789 N/A ASN 52.A ND2 LEU 232.A O no hydrogen 2.834 N/A ASN 54.A N ASN 52.A OD1 no hydrogen 2.895 N/A ASN 54.A ND2 ASP 231.A OD2 no hydrogen 2.804 N/A TYR 55.A N ASN 52.A O no hydrogen 3.297 N/A TYR 55.A OH ASP 231.A O no hydrogen 2.624 N/A LEU 56.A N VAL 25.A O no hydrogen 2.877 N/A VAL 58.A N LEU 23.A O no hydrogen 2.872 N/A LEU 60.A N LEU 21.A O no hydrogen 2.783 N/A GLU 61.A N ARG 43.A O no hydrogen 2.848 N/A ILE 62.A N LYS 19.A O no hydrogen 2.850 N/A GLY 63.A N GLY 41.A O no hydrogen 2.718 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.749 N/A ALA 66.A N GLY 63.A O no hydrogen 2.985 N/A GLY 69.A N LEU 88.A O no hydrogen 2.922 N/A PHE 71.A N TYR 86.A O no hydrogen 2.808 N/A ILE 73.A N TYR 84.A O no hydrogen 2.768 N/A VAL 74.A N ALA 36.A O no hydrogen 2.833 N/A PHE 75.A N GLU 82.A O no hydrogen 2.655 N/A LYS 76.A N GLU 34.A O no hydrogen 2.829 N/A GLY 77.A N ARG 80.A O no hydrogen 3.036 N/A ARG 80.A N GLY 77.A O no hydrogen 2.855 N/A ARG 80.A NH2 ARG 28.A O no hydrogen 2.801 N/A GLU 82.A N PHE 75.A O no hydrogen 2.692 N/A TYR 84.A N ILE 73.A O no hydrogen 2.890 N/A TYR 84.A OH PRO 10.A O no hydrogen 2.711 N/A ARG 85.A NE ASP 72.A OD1 no hydrogen 2.598 N/A TYR 86.A N PHE 71.A O no hydrogen 2.704 N/A TYR 86.A OH PRO 9.A O no hydrogen 2.844 N/A LEU 88.A N GLY 69.A O no hydrogen 2.745 N/A LEU 89.A N TRP 12.A O no hydrogen 2.843 N/A ARG 91.A NE GLU 299.A OE2 no hydrogen 2.916 N/A ARG 91.A NH1 GLY 15.A O no hydrogen 2.993 N/A ARG 91.A NH2 SER 95.A OG no hydrogen 3.292 N/A ARG 91.A NH2 GLU 299.A OE1 no hydrogen 2.964 N/A SER 95.A N GLU 92.A O no hydrogen 3.101 N/A SER 95.A OG GLU 299.A OE1 no hydrogen 2.986 N/A SER 95.A OG GLU 299.A OE2 no hydrogen 2.583 N/A ARG 98.A N SER 95.A O no hydrogen 3.217 N/A ARG 98.A NE SER 95.A O no hydrogen 2.865 N/A ARG 98.A NH1 SER 95.A OG no hydrogen 2.876 N/A ARG 98.A NH2 ILE 298.A O no hydrogen 2.919 N/A ARG 98.A NH2 LEU 303.A O no hydrogen 2.921 N/A GLN 99.A NE2 GLY 100.A O no hydrogen 3.286 N/A GLY 100.A N ARG 332.A O no hydrogen 2.786 N/A GLY 102.A N ASP 105.A OD2 no hydrogen 2.830 N/A ASP 105.A N GLY 102.A O no hydrogen 2.838 N/A ALA 106.A N THR 161.A OG1 no hydrogen 2.976 N/A ILE 107.A N PRO 445.A O no hydrogen 2.856 N/A TYR 108.A N GLN 162.A O no hydrogen 2.890 N/A TYR 108.A OH SER 449.A OG no hydrogen 2.778 N/A TYR 108.A OH GLU 452.A OE2 no hydrogen 2.637 N/A GLN 109.A N PHE 447.A O no hydrogen 2.831 N/A GLN 109.A NE2 GLN 446.A OE1 no hydrogen 3.261 N/A ILE 110.A N TRP 164.A O no hydrogen 2.962 N/A ARG 114.A N MET 111.A O no hydrogen 2.882 N/A ARG 114.A NE ASP 113.A OD1 no hydrogen 2.993 N/A ARG 114.A NH1 GLY 137.A O no hydrogen 2.977 N/A ARG 114.A NH1 GLY 139.A O no hydrogen 2.946 N/A ARG 114.A NH2 ARG 468.A O no hydrogen 2.724 N/A ASN 117.A N GLY 474.A O no hydrogen 2.721 N/A ASN 117.A ND2 ASP 123.A OD1 no hydrogen 3.132 N/A ASN 117.A ND2 ASP 123.A OD2 no hydrogen 2.909 N/A GLY 118.A N ASP 144.A OD2 no hydrogen 2.882 N/A ASP 119.A N ASP 144.A OD1 no hydrogen 2.948 N/A SER 121.A N ASP 119.A OD1 no hydrogen 2.931 N/A SER 121.A OG ASP 119.A OD1 no hydrogen 2.629 N/A SER 121.A OG ASP 119.A OD2 no hydrogen 3.398 N/A ASN 122.A N ASP 119.A O no hydrogen 3.333 N/A ASP 123.A N PRO 120.A O no hydrogen 3.169 N/A MET 128.A N VAL 125.A O no hydrogen 3.071 N/A ARG 129.A N ASP 172.A OD1 no hydrogen 2.842 N/A ARG 129.A NH1 ASP 172.A O no hydrogen 2.832 N/A ALA 132.A N ASN 124.A OD1 no hydrogen 2.719 N/A ASP 133.A N ARG 140.A O no hydrogen 2.777 N/A ARG 134.A NE ASP 470.A OD2 no hydrogen 2.768 N/A ARG 134.A NH1 ASP 470.A OD2 no hydrogen 3.410 N/A ARG 134.A NH1 ASP 478.A OD1 no hydrogen 3.096 N/A ARG 135.A N ASP 133.A OD1 no hydrogen 2.994 N/A HIS 136.A N ASP 133.A O no hydrogen 3.169 N/A GLY 139.A N HIS 136.A O no hydrogen 3.044 N/A ARG 140.A NH2 SER 177.A OG no hydrogen 3.106 N/A HIS 141.A N ASP 113.A OD1 no hydrogen 2.790 N/A HIS 141.A N ASP 113.A OD2 no hydrogen 3.115 N/A HIS 141.A ND1 ASP 470.A OD1 no hydrogen 2.517 N/A HIS 141.A NE2 HIS 136.A O no hydrogen 2.742 N/A GLY 142.A N ASP 113.A OD2 no hydrogen 2.829 N/A GLY 143.A N ASP 113.A O no hydrogen 2.823 N/A ASP 144.A N ALA 116.A O no hydrogen 2.973 N/A ILE 145.A N TYR 193.A O no hydrogen 2.969 N/A GLY 147.A N ASP 144.A OD2 no hydrogen 2.820 N/A THR 148.A N ASP 144.A O no hydrogen 3.134 N/A THR 148.A OG1 ASP 144.A O no hydrogen 3.428 N/A ILE 149.A N ILE 145.A O no hydrogen 2.813 N/A ASP 150.A N ARG 146.A O no hydrogen 2.869 N/A HIS 151.A N THR 148.A O no hydrogen 3.029 N/A LEU 152.A N ILE 149.A O no hydrogen 3.158 N/A TYR 154.A OH GLU 452.A OE2 no hydrogen 2.676 N/A TYR 154.A OH GLN 496.A OE1 no hydrogen 2.854 N/A ILE 155.A N HIS 151.A O no hydrogen 3.188 N/A ALA 156.A N LEU 152.A O no hydrogen 2.927 N/A GLY 157.A N ASP 153.A O no hydrogen 2.845 N/A LEU 158.A N TYR 154.A O no hydrogen 2.980 N/A LEU 158.A N ILE 155.A O no hydrogen 3.220 N/A GLY 159.A N ALA 156.A O no hydrogen 2.958 N/A PHE 160.A N ILE 155.A O no hydrogen 3.433 N/A THR 161.A N ALA 106.A O no hydrogen 2.854 N/A THR 161.A OG1 ASP 105.A OD1 no hydrogen 2.692 N/A THR 161.A OG1 ALA 106.A O no hydrogen 3.456 N/A GLN 162.A N ALA 106.A O no hydrogen 3.210 N/A GLN 162.A NE2 ASP 105.A OD1 no hydrogen 3.095 N/A LEU 163.A N GLY 212.A O no hydrogen 2.861 N/A TRP 164.A N TYR 108.A O no hydrogen 2.880 N/A TRP 164.A NE1 ASP 216.A OD2 no hydrogen 2.991 N/A THR 166.A N ILE 110.A O no hydrogen 2.967 N/A GLU 170.A N ARG 188.A O no hydrogen 2.838 N/A ASN 171.A N ASP 190.A OD1 no hydrogen 2.889 N/A ASN 171.A ND2 VAL 169.A O no hydrogen 2.929 N/A ASN 171.A ND2 GLY 180.A O no hydrogen 2.988 N/A ASP 172.A N THR 184.A OG1 no hydrogen 2.840 N/A ALA 173.A N ASN 171.A O no hydrogen 2.951 N/A SER 177.A N GLU 130.A OE1 no hydrogen 2.971 N/A SER 177.A OG GLU 130.A OE1 no hydrogen 2.680 N/A TYR 181.A OH ASP 216.A OD2 no hydrogen 2.645 N/A TYR 181.A OH HIS 415.A NE2 no hydrogen 3.056 N/A ALA 182.A N ASN 171.A OD1 no hydrogen 2.971 N/A THR 184.A N GLU 170.A O no hydrogen 2.770 N/A THR 184.A OG1 GLU 170.A O no hydrogen 3.190 N/A THR 184.A OG1 GLU 170.A OE2 no hydrogen 2.656 N/A TYR 187.A N ASP 185.A OD1 no hydrogen 2.814 N/A ARG 188.A N ASP 185.A O no hydrogen 3.401 N/A ARG 188.A NE GLU 170.A OE1 no hydrogen 2.926 N/A ARG 188.A NH2 GLU 170.A OE1 no hydrogen 2.799 N/A ILE 189.A N ASN 196.A OD1 no hydrogen 2.802 N/A ASP 190.A N LEU 168.A O no hydrogen 2.812 N/A ARG 192.A N ASP 190.A OD2 no hydrogen 3.012 N/A ARG 192.A NE ASP 190.A OD2 no hydrogen 2.775 N/A ARG 192.A NH2 ASP 190.A OD1 no hydrogen 2.970 N/A ARG 192.A NH2 ASP 190.A OD2 no hydrogen 3.520 N/A TYR 193.A N ASP 190.A O no hydrogen 2.714 N/A GLY 194.A N ASP 190.A O no hydrogen 3.281 N/A SER 195.A N ASP 198.A OD2 no hydrogen 2.890 N/A SER 195.A OG GLU 197.A OE2.A no hydrogen 3.538 N/A ASN 196.A ND2 TYR 187.A O no hydrogen 3.014 N/A ASP 198.A N SER 195.A OG no hydrogen 2.955 N/A PHE 199.A N SER 195.A O no hydrogen 3.124 N/A VAL 200.A N ASN 196.A O no hydrogen 3.059 N/A ARG 201.A N GLU 197.A O no hydrogen 2.866 N/A ARG 201.A NH1 ASP 198.A OD1 no hydrogen 2.767 N/A ARG 201.A NH2 ASP 198.A OD1 no hydrogen 3.036 N/A LEU 202.A N ASP 198.A O no hydrogen 2.852 N/A SER 203.A N PHE 199.A O no hydrogen 3.076 N/A SER 203.A OG ALA 301.A O no hydrogen 2.685 N/A SER 203.A OG GLY 302.A O no hydrogen 3.273 N/A THR 204.A N VAL 200.A O no hydrogen 2.930 N/A THR 204.A OG1.A VAL 200.A O no hydrogen 3.173 N/A THR 204.A OG1.A ARG 201.A O no hydrogen 2.893 N/A THR 204.A OG1.B ARG 201.A O no hydrogen 3.164 N/A GLU 205.A N ARG 201.A O no hydrogen 2.762 N/A ALA 206.A N LEU 202.A O no hydrogen 2.891 N/A ARG 207.A N SER 203.A O no hydrogen 2.922 N/A ARG 207.A NH2.B GLY 302.A O no hydrogen 3.017 N/A LYS 208.A N THR 204.A O no hydrogen 3.103 N/A LYS 208.A NZ GLU 205.A OE2 no hydrogen 3.009 N/A ARG 209.A N ALA 206.A O no hydrogen 2.982 N/A ARG 209.A NE ASP 153.A OD2 no hydrogen 2.839 N/A ARG 209.A NH2 GLU 205.A O no hydrogen 2.871 N/A ARG 209.A NH2 GLU 205.A OE1 no hydrogen 2.756 N/A GLY 210.A N ARG 207.A O no hydrogen 3.012 N/A MET 211.A N ALA 206.A O no hydrogen 2.884 N/A GLY 212.A N THR 161.A O no hydrogen 2.890 N/A ILE 214.A N LEU 163.A O no hydrogen 2.868 N/A GLN 215.A N GLY 305.A O no hydrogen 3.190 N/A VAL 217.A N ARG 307.A O no hydrogen 2.854 N/A SER 220.A OG ASP 278.A OD2 no hydrogen 3.074 N/A SER 220.A OG TYR 313.A O no hydrogen 2.991 N/A ILE 222.A N PRO 277.A O no hydrogen 3.015 N/A GLY 223.A N ALA 183.A O no hydrogen 2.855 N/A LYS 224.A N GLY 275.A O no hydrogen 3.004 N/A HIS 226.A N GLY 223.A O no hydrogen 3.033 N/A TRP 228.A N HIS 226.A ND1 no hydrogen 2.982 N/A MET 229.A N HIS 226.A O no hydrogen 2.913 N/A LYS 230.A N TRP 227.A O no hydrogen 3.241 N/A ASP 231.A N TRP 228.A O no hydrogen 3.052 N/A THR 234.A OG1 ASP 236.A OD1 no hydrogen 2.745 N/A TRP 237.A N THR 234.A O no hydrogen 3.200 N/A ASN 239.A N ASP 278.A O no hydrogen 2.816 N/A GLY 242.A N ASN 239.A O no hydrogen 3.390 N/A LYS 243.A N TYR 240.A O no hydrogen 3.145 N/A THR 247.A N TRP 271.A O no hydrogen 2.917 N/A THR 247.A OG1 ASN 266.A O no hydrogen 2.922 N/A THR 247.A OG1 ASN 266.A OD1 no hydrogen 3.371 N/A GLN 248.A N ASN 266.A OD1 no hydrogen 2.702 N/A GLN 248.A NE2.A PRO 246.A O no hydrogen 3.211 N/A HIS 249.A N THR 247.A OG1 no hydrogen 3.103 N/A ARG 251.A NE GLU 339.A OE1 no hydrogen 2.417 N/A ARG 251.A NH1 GLU 339.A OE1 no hydrogen 3.042 N/A ALA 253.A N HIS 250.A O no hydrogen 2.987 N/A GLN 255.A N VAL 252.A O no hydrogen 2.856 N/A TYR 258.A N ASP 256.A OD2 no hydrogen 2.832 N/A ALA 259.A N ASP 256.A O no hydrogen 3.110 N/A ASP 263.A N ALA 260.A O no hydrogen 2.999 N/A SER 264.A N ALA 260.A O no hydrogen 3.120 N/A SER 264.A OG.A ALA 260.A O no hydrogen 3.497 N/A SER 264.A OG.A GLN 261.A O no hydrogen 3.173 N/A GLU 265.A N GLN 261.A O no hydrogen 2.885 N/A ASN 266.A N ALA 262.A O no hydrogen 2.928 N/A ASN 266.A ND2 PRO 246.A O no hydrogen 2.984 N/A ASN 266.A ND2 GLN 248.A OE1.A no hydrogen 3.064 N/A PHE 267.A N ASP 263.A O no hydrogen 2.928 N/A THR 268.A N SER 264.A O no hydrogen 3.071 N/A THR 268.A OG1 SER 264.A O no hydrogen 3.435 N/A LYS 269.A N GLU 265.A O no hydrogen 2.807 N/A LYS 269.A NZ GLU 265.A OE2.A no hydrogen 2.828 N/A GLY 270.A N ASN 266.A O no hydrogen 2.985 N/A TRP 271.A N VAL 245.A O no hydrogen 2.787 N/A TRP 271.A NE1 ASN 239.A O no hydrogen 3.262 N/A MET 276.A N VAL 273.A O no hydrogen 2.906 N/A LEU 279.A N SER 220.A O no hydrogen 2.770 N/A ASN 280.A N TRP 237.A O no hydrogen 2.890 N/A ASN 280.A ND2 ASP 236.A O no hydrogen 2.820 N/A GLN 281.A NE2 SER 314.A OG no hydrogen 2.827 N/A THR 282.A N ASN 280.A OD1 no hydrogen 3.121 N/A THR 282.A OG1 ASN 280.A OD1 no hydrogen 2.644 N/A ASN 283.A N ASN 280.A O no hydrogen 3.056 N/A ASN 283.A ND2 ASP 236.A OD1 no hydrogen 2.911 N/A LEU 285.A N ASN 283.A OD1 no hydrogen 2.860 N/A VAL 286.A N ASN 283.A O no hydrogen 2.879 N/A ALA 287.A N ASN 283.A O no hydrogen 3.057 N/A ASN 288.A N PRO 284.A O no hydrogen 2.813 N/A TYR 289.A N LEU 285.A O no hydrogen 3.014 N/A TYR 289.A OH GLU 8.A OE1 no hydrogen 2.650 N/A LEU 290.A N VAL 286.A O no hydrogen 3.043 N/A ILE 291.A N ALA 287.A O no hydrogen 3.021 N/A GLN 292.A N ASN 288.A O no hydrogen 2.975 N/A GLN 292.A NE2 GLN 22.A O no hydrogen 2.783 N/A ASN 293.A N TYR 289.A O no hydrogen 2.989 N/A ASN 293.A ND2 HIS 186.A O no hydrogen 3.057 N/A ASN 294.A N LEU 290.A O no hydrogen 3.077 N/A ASN 294.A ND2 TYR 322.A OH no hydrogen 2.603 N/A ILE 295.A N ILE 291.A O no hydrogen 3.038 N/A TRP 296.A N GLN 292.A O no hydrogen 2.784 N/A TRP 297.A N ASN 293.A O no hydrogen 3.047 N/A TRP 297.A NE1 HIS 186.A O no hydrogen 2.827 N/A ILE 298.A N ASN 294.A O no hydrogen 2.996 N/A GLU 299.A N ILE 295.A O no hydrogen 2.860 N/A TYR 300.A N TRP 296.A O no hydrogen 2.810 N/A ALA 301.A N TRP 297.A O no hydrogen 2.883 N/A LEU 303.A N ILE 298.A O no hydrogen 3.245 N/A SER 304.A N LEU 213.A O no hydrogen 2.872 N/A SER 304.A OG.A GLN 162.A OE1 no hydrogen 2.598 N/A SER 304.A OG.A LEU 213.A O no hydrogen 3.370 N/A LEU 306.A N ASN 334.A O no hydrogen 3.182 N/A ARG 307.A N GLN 215.A O no hydrogen 2.830 N/A ARG 307.A NH2 ASP 216.A OD1 no hydrogen 2.872 N/A ARG 307.A NH2 ASP 309.A OD1 no hydrogen 2.809 N/A ILE 308.A N VAL 336.A O no hydrogen 2.868 N/A ASP 309.A N VAL 217.A O no hydrogen 2.945 N/A THR 310.A N GLN 338.A OE1 no hydrogen 2.975 N/A THR 310.A OG1 ASP 309.A OD2 no hydrogen 2.718 N/A TYR 311.A N GLN 338.A O no hydrogen 2.955 N/A TYR 313.A N THR 310.A O no hydrogen 3.140 N/A SER 314.A N TYR 311.A O no hydrogen 3.412 N/A ASP 315.A N GLN 281.A OE1 no hydrogen 2.803 N/A PHE 318.A N ASP 315.A OD1 no hydrogen 3.053 N/A LEU 319.A N ASP 315.A O no hydrogen 2.894 N/A THR 320.A N GLY 316.A O no hydrogen 3.011 N/A THR 320.A OG1 GLY 316.A O no hydrogen 3.192 N/A THR 320.A OG1 TYR 360.A OH no hydrogen 3.309 N/A THR 320.A OG1 THR 361.A O no hydrogen 2.749 N/A GLU 321.A N ALA 317.A O no hydrogen 3.102 N/A TYR 322.A N PHE 318.A O no hydrogen 2.724 N/A THR 323.A N LEU 319.A O no hydrogen 2.863 N/A THR 323.A OG1 LEU 319.A O no hydrogen 2.923 N/A THR 323.A OG1 THR 320.A O no hydrogen 3.250 N/A ARG 324.A N THR 320.A O no hydrogen 3.060 N/A ARG 324.A NE.A GLU 321.A OE1.A no hydrogen 2.883 N/A ARG 324.A NH1.B GLU 321.A OE1.A no hydrogen 1.098 N/A ARG 324.A NH2.A GLU 321.A OE1.A no hydrogen 3.393 N/A ARG 324.A NH2.A GLU 321.A OE2.A no hydrogen 2.351 N/A ARG 325.A N GLU 321.A O no hydrogen 2.781 N/A LEU 326.A N TYR 322.A O no hydrogen 2.944 N/A MET 327.A N THR 323.A O no hydrogen 2.967 N/A ALA 328.A N ARG 324.A O no hydrogen 2.829 N/A GLU 329.A N ARG 325.A O no hydrogen 3.161 N/A TYR 330.A N LEU 326.A O no hydrogen 2.979 N/A TYR 330.A OH GLU 299.A OE1 no hydrogen 2.621 N/A LEU 333.A N TYR 330.A O no hydrogen 2.943 N/A ASN 334.A ND2 PHE 101.A O no hydrogen 2.902 N/A ASN 334.A ND2 ASN 407.A OD1 no hydrogen 3.291 N/A VAL 336.A N LEU 306.A O no hydrogen 2.897 N/A GLY 337.A N SER 366.A O no hydrogen 2.881 N/A GLN 338.A N ILE 308.A O no hydrogen 2.858 N/A SER 341.A N GLU 339.A O no hydrogen 2.917 N/A ARG 343.A N SER 341.A OG no hydrogen 2.978 N/A VAL 346.A N ARG 343.A O no hydrogen 2.993 N/A VAL 347.A N ARG 343.A O no hydrogen 3.242 N/A ALA 348.A N VAL 344.A O no hydrogen 2.899 N/A ARG 349.A N PRO 345.A O no hydrogen 3.255 N/A ARG 349.A NH2 ASP 358.A OD2 no hydrogen 2.985 N/A TRP 350.A N VAL 347.A O no hydrogen 3.365 N/A TRP 350.A NE1 GLU 339.A OE2 no hydrogen 2.937 N/A GLN 351.A N ALA 348.A O no hydrogen 3.130 N/A ARG 352.A N LEU 364.A O no hydrogen 2.822 N/A ARG 352.A NE GLU 404.A OE2 no hydrogen 2.832 N/A ARG 352.A NH1 GLU 404.A OE1 no hydrogen 2.918 N/A ARG 352.A NH1 GLU 404.A OE2 no hydrogen 3.512 N/A LYS 354.A N GLN 351.A O no hydrogen 3.204 N/A LYS 354.A NZ LEU 401.A O no hydrogen 2.790 N/A GLY 359.A N ASN 356.A O no hydrogen 3.000 N/A TYR 360.A N ASP 358.A OD1 no hydrogen 3.110 N/A TYR 360.A OH GLY 316.A O no hydrogen 2.880 N/A SER 362.A OG TRP 350.A O no hydrogen 2.709 N/A HIS 363.A N THR 323.A OG1 no hydrogen 2.950 N/A LEU 364.A N SER 362.A OG no hydrogen 3.139 N/A SER 366.A OG LEU 367.A O no hydrogen 3.563 N/A SER 366.A OG ASN 407.A O no hydrogen 2.579 N/A MET 368.A N GLY 337.A O no hydrogen 3.010 N/A ASP 369.A N VAL 409.A O no hydrogen 2.812 N/A PHE 370.A N MET 368.A O no hydrogen 2.939 N/A LEU 372.A N ASP 369.A OD1 no hydrogen 2.969 N/A VAL 373.A N ASP 369.A O no hydrogen 3.142 N/A ASP 374.A N PHE 370.A O no hydrogen 2.943 N/A ALA 375.A N PRO 371.A O no hydrogen 3.077 N/A MET 376.A N LEU 372.A O no hydrogen 3.055 N/A ARG 377.A N VAL 373.A O no hydrogen 2.933 N/A ARG 377.A NH1 ALA 418.A O no hydrogen 2.839 N/A ARG 377.A NH2 GLY 412.A O no hydrogen 2.935 N/A ARG 377.A NH2 ALA 418.A O no hydrogen 2.975 N/A ASN 378.A N ASP 374.A O no hydrogen 2.956 N/A ASN 378.A ND2 GLU 391.A OE1 no hydrogen 3.378 N/A ASN 378.A ND2 GLU 391.A OE2 no hydrogen 3.186 N/A ALA 379.A N ALA 375.A O no hydrogen 2.975 N/A LEU 380.A N MET 376.A O no hydrogen 2.965 N/A SER 381.A N ARG 377.A O no hydrogen 3.093 N/A SER 381.A N ASN 378.A O no hydrogen 3.339 N/A SER 381.A OG ARG 377.A O no hydrogen 2.728 N/A SER 381.A OG ASN 378.A O no hydrogen 3.438 N/A LYS 382.A N ASN 378.A O no hydrogen 2.944 N/A GLU 385.A N LYS 382.A O no hydrogen 3.060 N/A ASN 387.A ND2 PRO 522.A O no hydrogen 3.051 N/A LEU 389.A N ASN 525.A OD1 no hydrogen 2.976 N/A ASN 390.A N ASN 387.A O no hydrogen 2.874 N/A ASN 390.A ND2 GLU 394.A OE2 no hydrogen 3.077 N/A GLU 391.A N GLY 388.A O no hydrogen 3.158 N/A VAL 392.A N LEU 389.A O no hydrogen 3.011 N/A TYR 393.A N LEU 389.A O no hydrogen 3.247 N/A GLU 394.A N ASN 390.A O no hydrogen 2.886 N/A THR 395.A N GLU 391.A O no hydrogen 2.983 N/A THR 395.A OG1 GLU 391.A O no hydrogen 2.786 N/A LEU 396.A N VAL 392.A O no hydrogen 2.842 N/A SER 397.A N TYR 393.A O no hydrogen 2.956 N/A SER 397.A OG GLU 394.A O no hydrogen 2.702 N/A LEU 398.A N THR 395.A O no hydrogen 3.015 N/A ASP 399.A N LEU 396.A O no hydrogen 2.992 N/A LEU 401.A N LEU 398.A O no hydrogen 2.891 N/A TYR 402.A N ASP 399.A O no hydrogen 3.019 N/A GLN 406.A N GLN 406.A OE1 no hydrogen 2.701 N/A ASN 407.A N GLU 404.A O no hydrogen 2.940 N/A ASN 407.A ND2 PRO 365.A O no hydrogen 3.038 N/A LEU 408.A N PRO 405.A O no hydrogen 3.098 N/A VAL 409.A N LEU 367.A O no hydrogen 3.009 N/A LEU 410.A N ILE 444.A O no hydrogen 2.876 N/A GLY 412.A N GLN 446.A O no hydrogen 2.946 N/A HIS 415.A N HIS 415.A ND1 no hydrogen 2.866 N/A ASP 416.A N ASN 414.A OD1 no hydrogen 2.967 N/A ARG 419.A N SER 457.A OG no hydrogen 2.864 N/A ARG 419.A NH1 SER 449.A O no hydrogen 2.911 N/A ARG 419.A NH1 ASP 451.A OD1 no hydrogen 2.901 N/A ARG 419.A NH2 SER 449.A O no hydrogen 3.428 N/A SER 422.A OG SER 457.A O no hydrogen 3.275 N/A ALA 423.A N ARG 419.A O no hydrogen 2.766 N/A ALA 424.A N MET 420.A O no hydrogen 3.099 N/A ALA 424.A N PHE 421.A O no hydrogen 3.248 N/A GLY 425.A N SER 422.A O no hydrogen 2.891 N/A GLU 426.A N PHE 421.A O no hydrogen 2.903 N/A ASP 427.A N ALA 424.A O no hydrogen 3.225 N/A ARG 430.A N ASP 427.A OD1 no hydrogen 2.961 N/A ARG 430.A NE ASN 544.A OD1 no hydrogen 2.751 N/A ARG 430.A NH1 ASP 427.A OD2 no hydrogen 2.778 N/A ARG 430.A NH1 ASP 546.A OD2.B no hydrogen 2.926 N/A ARG 430.A NH2 ASP 546.A OD2.B no hydrogen 2.769 N/A TRP 431.A N ASP 427.A O no hydrogen 2.850 N/A ARG 432.A N PHE 428.A O no hydrogen 2.918 N/A MET 433.A N ASP 429.A O no hydrogen 3.381 N/A ASN 434.A N ARG 430.A O no hydrogen 3.125 N/A LEU 435.A N TRP 431.A O no hydrogen 2.976 N/A VAL 436.A N ARG 432.A O no hydrogen 2.893 N/A PHE 437.A N MET 433.A O no hydrogen 2.965 N/A LEU 438.A N ASN 434.A O no hydrogen 2.935 N/A MET 439.A N LEU 435.A O no hydrogen 3.059 N/A THR 440.A N PHE 437.A O no hydrogen 3.218 N/A THR 440.A OG1 VAL 436.A O no hydrogen 2.781 N/A THR 440.A OG1 TYR 529.A OH no hydrogen 2.607 N/A MET 441.A N PHE 437.A O no hydrogen 3.026 N/A ARG 443.A N MET 441.A O no hydrogen 2.819 N/A ARG 443.A NE ASP 369.A OD2 no hydrogen 2.765 N/A ARG 443.A NH1 ASP 369.A OD2 no hydrogen 2.850 N/A ARG 443.A NH1 ASP 399.A OD1 no hydrogen 2.830 N/A ARG 443.A NH1 ASP 399.A OD2 no hydrogen 3.437 N/A ARG 443.A NH2 ASP 399.A OD2 no hydrogen 2.885 N/A ARG 443.A NH2 PRO 442.A O no hydrogen 3.114 N/A ILE 444.A N LEU 408.A O no hydrogen 2.873 N/A GLN 446.A N LEU 410.A O no hydrogen 2.768 N/A PHE 447.A N ILE 107.A O no hydrogen 2.758 N/A TYR 448.A OH TYR 467.A O no hydrogen 2.799 N/A SER 449.A N GLN 109.A O no hydrogen 2.855 N/A SER 449.A OG TYR 108.A OH no hydrogen 2.778 N/A GLY 450.A N GLU 452.A OE1 no hydrogen 2.801 N/A ASP 451.A N TYR 448.A O no hydrogen 2.995 N/A GLU 452.A N GLU 452.A OE1 no hydrogen 2.798 N/A ILE 453.A N GLY 450.A O no hydrogen 3.143 N/A LEU 454.A N ASP 451.A O no hydrogen 3.128 N/A MET 455.A N GLY 450.A O no hydrogen 3.270 N/A SER 457.A N SER 422.A OG no hydrogen 2.938 N/A SER 457.A OG THR 458.A O no hydrogen 2.789 N/A THR 458.A N SER 466.A OG.A no hydrogen 2.867 N/A THR 458.A OG1 ASP 463.A OD2 no hydrogen 3.041 N/A THR 458.A OG1 SER 466.A OG.B no hydrogen 3.068 N/A ARG 462.A NE.B ASP 464.A OD1 no hydrogen 3.080 N/A ARG 462.A NE.B ASP 464.A OD2 no hydrogen 3.218 N/A ARG 462.A NH1.A ASP 416.A O no hydrogen 2.767 N/A ARG 462.A NH1.A ASP 464.A OD1 no hydrogen 2.686 N/A ARG 462.A NH1.B ASP 464.A OD2 no hydrogen 3.006 N/A ARG 462.A NH2.A ASP 416.A O no hydrogen 3.075 N/A ASP 463.A N TYR 467.A OH no hydrogen 3.004 N/A SER 466.A N ASP 463.A O no hydrogen 2.881 N/A SER 466.A OG.B THR 458.A OG1 no hydrogen 3.068 N/A SER 466.A OG.B ASP 463.A O no hydrogen 2.896 N/A TYR 467.A N ASP 464.A O no hydrogen 3.006 N/A ARG 468.A N ALA 465.A O no hydrogen 3.198 N/A ARG 468.A NE HIS 415.A O no hydrogen 2.807 N/A ARG 468.A NH1 TYR 178.A OH no hydrogen 2.799 N/A ARG 468.A NH2 HIS 415.A O no hydrogen 3.198 N/A PHE 471.A N ARG 114.A O no hydrogen 2.898 N/A GLY 473.A N ASP 478.A OD2 no hydrogen 2.803 N/A GLY 474.A N PHE 471.A O no hydrogen 2.979 N/A TRP 475.A N ASP 478.A OD2 no hydrogen 3.128 N/A TRP 475.A NE1 HIS 141.A O no hydrogen 2.918 N/A ASP 478.A N TRP 475.A O no hydrogen 3.115 N/A LYS 479.A NZ GLY 477.A O no hydrogen 3.359 N/A ASN 481.A N ALA 486.A O no hydrogen 2.782 N/A ALA 482.A N PRO 472.A O no hydrogen 2.782 N/A SER 484.A N ASN 481.A O no hydrogen 3.219 N/A SER 484.A N ASN 481.A OD1 no hydrogen 3.190 N/A SER 484.A OG ASN 481.A O no hydrogen 3.374 N/A GLY 485.A N ASN 481.A O no hydrogen 2.771 N/A ALA 486.A N SER 484.A OG no hydrogen 3.158 N/A LEU 488.A N GLY 485.A O no hydrogen 3.393 N/A THR 489.A N GLN 492.A OE1 no hydrogen 2.820 N/A GLN 492.A N THR 489.A OG1 no hydrogen 3.099 N/A ARG 493.A N THR 489.A O no hydrogen 2.921 N/A ARG 493.A NE.B ASP 497.A OD1 no hydrogen 3.521 N/A ARG 493.A NE.B ASP 497.A OD2 no hydrogen 2.891 N/A ALA 494.A N SER 490.A O no hydrogen 2.865 N/A ALA 495.A N GLN 491.A O no hydrogen 2.921 N/A GLN 496.A N GLN 492.A O no hydrogen 3.030 N/A ASP 497.A N ARG 493.A O no hydrogen 2.791 N/A LEU 498.A N ALA 494.A O no hydrogen 2.979 N/A VAL 499.A N ALA 495.A O no hydrogen 2.943 N/A ARG 500.A N GLN 496.A O no hydrogen 3.011 N/A LYS 501.A N ASP 497.A O no hydrogen 2.851 N/A LYS 501.A NZ PHE 569.A O no hydrogen 3.016 N/A LYS 501.A NZ LEU 570.A O no hydrogen 2.828 N/A LEU 502.A N LEU 498.A O no hydrogen 2.864 N/A ALA 503.A N VAL 499.A O no hydrogen 2.854 N/A ASN 504.A N ARG 500.A O no hydrogen 3.074 N/A ASN 504.A ND2 GLY 157.A O no hydrogen 3.048 N/A ASN 504.A ND2 ARG 500.A O no hydrogen 2.871 N/A TRP 505.A N LYS 501.A O no hydrogen 3.057 N/A TRP 505.A NE1 GLU 592.A OE1 no hydrogen 2.922 N/A ARG 506.A N LEU 502.A O no hydrogen 2.803 N/A ARG 506.A NE MET 439.A O no hydrogen 3.126 N/A ARG 506.A NH1 PRO 103.A O no hydrogen 2.955 N/A ARG 506.A NH2 PRO 103.A O no hydrogen 2.848 N/A LYS 507.A N ALA 503.A O no hydrogen 3.178 N/A ASN 508.A N TRP 505.A O no hydrogen 2.979 N/A GLN 509.A N ARG 506.A O no hydrogen 3.084 N/A ILE 512.A N GLN 509.A O no hydrogen 2.875 N/A HIS 513.A N GLN 509.A O no hydrogen 3.241 N/A HIS 513.A NE2 ARG 506.A O no hydrogen 2.763 N/A ASN 514.A N PRO 510.A O no hydrogen 2.865 N/A GLY 515.A N VAL 511.A O no hydrogen 2.930 N/A ARG 516.A N TYR 532.A O no hydrogen 2.923 N/A MET 518.A N PHE 530.A O no hydrogen 2.949 N/A PHE 520.A N VAL 528.A O no hydrogen 3.000 N/A GLU 523.A N THR 526.A O no hydrogen 3.051 N/A ASN 525.A N ASN 387.A OD1 no hydrogen 2.817 N/A ASN 525.A ND2 GLU 385.A O no hydrogen 3.054 N/A THR 526.A N GLU 523.A O no hydrogen 3.072 N/A THR 526.A OG1 GLU 523.A O no hydrogen 2.826 N/A TRP 527.A N MET 542.A O no hydrogen 3.015 N/A TYR 529.A N VAL 540.A O no hydrogen 2.953 N/A TYR 529.A OH THR 440.A OG1 no hydrogen 2.607 N/A PHE 530.A N MET 518.A O no hydrogen 2.783 N/A ARG 531.A N ILE 538.A O no hydrogen 2.929 N/A ARG 531.A NE ARG 516.A O no hydrogen 3.052 N/A ARG 531.A NH1 ILE 512.A O no hydrogen 2.996 N/A ARG 531.A NH1 GLY 515.A O no hydrogen 2.845 N/A ARG 531.A NH2 THR 440.A O no hydrogen 2.801 N/A ARG 531.A NH2 ILE 512.A O no hydrogen 2.904 N/A TYR 532.A N ARG 516.A O no hydrogen 3.031 N/A ASN 533.A N LYS 536.A O no hydrogen 3.016 N/A LYS 534.A NZ ASP 535.A OD1 no hydrogen 2.765 N/A ASP 535.A N ASN 533.A OD1 no hydrogen 2.833 N/A LYS 536.A N ASN 533.A OD1 no hydrogen 2.990 N/A LYS 536.A NZ GLU 592.A OE1 no hydrogen 2.674 N/A ARG 537.A N LEU 593.A O no hydrogen 3.095 N/A ARG 537.A NE PRO 594.A O no hydrogen 2.757 N/A ARG 537.A NH1 PRO 594.A O no hydrogen 3.023 N/A ARG 537.A NH2 MET 559.A O no hydrogen 2.814 N/A ARG 537.A NH2 LEU 560.A O no hydrogen 2.970 N/A ILE 538.A N ARG 531.A O no hydrogen 2.830 N/A MET 539.A N ILE 591.A O no hydrogen 2.827 N/A VAL 540.A N TYR 529.A O no hydrogen 2.778 N/A ALA 541.A N VAL 589.A O no hydrogen 3.149 N/A MET 542.A N TRP 527.A O no hydrogen 2.917 N/A ASN 543.A N SER 587.A O no hydrogen 2.775 N/A ASN 543.A ND2 LYS 547.A O no hydrogen 2.802 N/A ASN 543.A ND2 ALA 584.A O no hydrogen 2.943 N/A ASN 544.A N ASN 525.A O no hydrogen 2.813 N/A ASN 544.A ND2 ALA 379.A O no hydrogen 2.971 N/A ASN 544.A ND2 ASN 525.A OD1 no hydrogen 3.115 N/A ASN 545.A ND2 GLU 524.A O no hydrogen 2.870 N/A ASN 545.A ND2 ASN 543.A OD1 no hydrogen 2.830 N/A MET 549.A N LEU 583.A O no hydrogen 2.938 N/A LEU 551.A N LEU 581.A O no hydrogen 2.798 N/A THR 553.A N ARG 579.A O no hydrogen 3.010 N/A THR 553.A OG1 LEU 577.A O no hydrogen 2.747 N/A ARG 555.A NH1 GLY 521.A O no hydrogen 3.153 N/A ARG 555.A NH2 GLY 521.A O no hydrogen 2.817 N/A PHE 556.A N THR 553.A O no hydrogen 2.976 N/A GLN 557.A N ALA 554.A O no hydrogen 3.333 N/A GLN 557.A NE2 THR 553.A O no hydrogen 3.040 N/A MET 559.A N PHE 556.A O no hydrogen 2.978 N/A LEU 560.A N PHE 556.A O no hydrogen 2.904 N/A LYS 561.A N GLN 557.A O no hydrogen 2.824 N/A GLY 562.A N GLN 557.A OE1 no hydrogen 2.831 N/A ALA 563.A N LEU 560.A O no hydrogen 2.961 N/A GLY 566.A N VAL 575.A O no hydrogen 3.071 N/A ASP 568.A N LYS 573.A O no hydrogen 2.834 N/A PHE 569.A N VAL 590.A O no hydrogen 2.796 N/A LEU 570.A N ASP 568.A OD1 no hydrogen 3.042 N/A SER 571.A N ASP 568.A OD2 no hydrogen 3.131 N/A SER 571.A OG ASP 568.A OD2 no hydrogen 2.677 N/A GLY 572.A N ASP 568.A O no hydrogen 2.685 N/A LYS 573.A N SER 571.A OG no hydrogen 3.054 N/A VAL 575.A N GLY 566.A O no hydrogen 2.766 N/A LEU 577.A N PRO 564.A O no hydrogen 2.904 N/A LEU 581.A N LEU 551.A O no hydrogen 2.723 N/A LEU 583.A N MET 549.A O no hydrogen 2.786 N/A LYS 586.A N ASN 545.A O no hydrogen 2.812 N/A SER 587.A OG ALA 584.A O no hydrogen 2.689 N/A VAL 589.A N ALA 541.A O no hydrogen 2.915 N/A VAL 590.A N ASP 568.A OD1 no hydrogen 2.900 N/A ILE 591.A N MET 539.A O no hydrogen 2.819 N/A GLU 592.A N VAL 567.A O no hydrogen 3.077 N/A LEU 593.A N ARG 537.A O no hydrogen 2.869 N/A LEU 596.A N ASN 533.A O no hydrogen 3.011 N/A