Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fhh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N ARG 13.A O no hydrogen 2.758 N/A THR 5.A OG1 GLU 101.A OE2 no hydrogen 2.444 N/A VAL 6.A N GLU 101.A OE1 no hydrogen 2.908 N/A VAL 6.A N GLU 101.A OE2 no hydrogen 3.132 N/A THR 7.A N GLU 101.A OE2 no hydrogen 3.182 N/A THR 7.A OG1 GLU 101.A OE2 no hydrogen 3.318 N/A THR 9.A OG1 GLU 340.A OE1 no hydrogen 3.057 N/A THR 9.A OG1 GLU 340.A OE2 no hydrogen 2.834 N/A ASN 11.A N THR 9.A OG1 no hydrogen 3.384 N/A ARG 13.A N THR 5.A O no hydrogen 2.978 N/A ARG 13.A NH1 GLU 340.A OE2 no hydrogen 2.703 N/A SER 14.A OG GLU 2.A OE2 no hydrogen 2.937 N/A SER 15.A N THR 3.A O no hydrogen 3.053 N/A GLU 17.A N SER 14.A OG no hydrogen 2.963 N/A ALA 18.A N SER 15.A O no hydrogen 2.905 N/A SER 23.A N ILE 102.A O no hydrogen 3.059 N/A ILE 25.A N VAL 100.A O no hydrogen 2.785 N/A THR 27.A OG1 ILE 97.A O no hydrogen 3.458 N/A THR 27.A OG1 LYS 98.A O no hydrogen 2.794 N/A SER 28.A OG ASP 26.A OD2 no hydrogen 3.019 N/A ALA 29.A N ASP 26.A OD1 no hydrogen 2.787 N/A ASN 32.A N ALA 29.A O no hydrogen 2.760 N/A ASN 32.A ND2 ASP 26.A O no hydrogen 3.218 N/A GLN 33.A N ALA 29.A O no hydrogen 3.185 N/A ALA 35.A N ASN 32.A O no hydrogen 3.302 N/A SER 37.A OG ASP 40.A OD2 no hydrogen 3.334 N/A SER 37.A OG GLN 59.A OE1 no hydrogen 3.455 N/A THR 39.A OG1 GLN 59.A OE1 no hydrogen 2.620 N/A ASP 40.A N SER 37.A O no hydrogen 3.129 N/A LEU 42.A N THR 39.A O no hydrogen 2.803 N/A ARG 43.A N ASP 40.A O no hydrogen 2.888 N/A ARG 43.A NE ASP 40.A OD2 no hydrogen 2.909 N/A ILE 48.A N VAL 45.A O no hydrogen 3.077 N/A THR 49.A N ASN 62.A O no hydrogen 3.058 N/A ASP 51.A N ASP 60.A O no hydrogen 2.889 N/A THR 53.A OG1 PRO 227.A O no hydrogen 2.945 N/A ARG 55.A N THR 53.A OG1 no hydrogen 3.265 N/A ARG 55.A NH1 PRO 227.A O no hydrogen 3.008 N/A ARG 55.A NH1 THR 229.A O no hydrogen 2.842 N/A ARG 55.A NH2 PRO 188.A O no hydrogen 2.588 N/A ARG 55.A NH2 VAL 230.A O no hydrogen 3.295 N/A THR 56.A N GLU 191.A OE1 no hydrogen 3.064 N/A THR 56.A OG1 GLU 191.A OE1 no hydrogen 2.840 N/A ASN 57.A ND2 LEU 87.A O no hydrogen 2.982 N/A ASN 57.A ND2 THR 244.A OG1 no hydrogen 3.092 N/A GLY 58.A N ASN 88.A O no hydrogen 2.671 N/A GLN 59.A NE2 ARG 55.A O no hydrogen 2.496 N/A ASP 60.A N GLY 58.A O no hydrogen 2.938 N/A ASN 62.A N THR 49.A O no hydrogen 2.715 N/A ASN 62.A ND2 THR 49.A O no hydrogen 3.137 N/A ASN 62.A ND2 ASP 51.A OD1 no hydrogen 3.114 N/A MET 63.A N TYR 66.A O no hydrogen 2.796 N/A ARG 64.A NH1 GLU 438.A OE1 no hydrogen 2.972 N/A ARG 64.A NH1 GLU 438.A OE2 no hydrogen 3.427 N/A ARG 64.A NH2 GLU 438.A OE2 no hydrogen 2.902 N/A ARG 64.A NH2 ASP 495.A OD2 no hydrogen 2.466 N/A TYR 66.A N MET 63.A O no hydrogen 3.050 N/A ARG 69.A N ASP 67.A OD2 no hydrogen 3.202 N/A ARG 69.A NE GLU 405.A OE2 no hydrogen 3.256 N/A ARG 69.A NH1 GLU 405.A OE2 no hydrogen 3.464 N/A GLY 70.A N ASP 67.A O no hydrogen 2.715 N/A VAL 71.A N HIS 68.A O no hydrogen 3.427 N/A LEU 72.A N GLY 118.A O no hydrogen 2.952 N/A LEU 74.A N ILE 120.A O no hydrogen 2.885 N/A VAL 75.A N ILE 78.A O no hydrogen 2.853 N/A ASP 76.A N TYR 122.A O no hydrogen 2.981 N/A ILE 78.A N VAL 75.A O no hydrogen 2.944 N/A ARG 79.A NH1 TYR 111.A O no hydrogen 3.345 N/A GLN 80.A NE2 ILE 78.A O no hydrogen 3.247 N/A THR 82.A OG1 ASN 88.A OD1 no hydrogen 2.836 N/A THR 84.A N ASN 88.A OD1 no hydrogen 3.006 N/A THR 84.A OG1 ASN 88.A OD1 no hydrogen 2.702 N/A HIS 86.A ND1 GLN 228.A OE1 no hydrogen 3.336 N/A LEU 87.A N THR 84.A OG1 no hydrogen 3.117 N/A ASN 88.A ND2 ASP 60.A OD2 no hydrogen 2.643 N/A ALA 95.A N ASP 93.A OD2 no hydrogen 3.123 N/A LEU 96.A N ASP 93.A O no hydrogen 2.971 N/A ILE 97.A N PRO 94.A O no hydrogen 2.764 N/A LYS 98.A N ASP 123.A O no hydrogen 2.689 N/A ARG 99.A N ASP 123.A O no hydrogen 3.313 N/A ARG 99.A NE GLU 101.A OE1 no hydrogen 3.272 N/A ARG 99.A NH2 MET 4.A O no hydrogen 2.815 N/A ARG 99.A NH2 GLU 101.A OE1 no hydrogen 2.775 N/A GLU 101.A N SER 121.A O no hydrogen 3.040 N/A ILE 102.A N SER 23.A O no hydrogen 2.789 N/A VAL 103.A N VAL 119.A O no hydrogen 2.790 N/A ARG 104.A N MET 21.A O no hydrogen 3.311 N/A ARG 104.A NH1 MET 21.A O no hydrogen 3.016 N/A ARG 104.A NH1 SER 23.A OG no hydrogen 2.735 N/A ARG 104.A NH2 SER 23.A OG no hydrogen 2.765 N/A GLY 105.A N GLY 117.A O no hydrogen 2.632 N/A SER 107.A N ALA 115.A O no hydrogen 2.802 N/A SER 107.A OG GLY 105.A O no hydrogen 2.739 N/A TYR 111.A N ALA 108.A O no hydrogen 2.648 N/A TYR 111.A OH THR 7.A O no hydrogen 2.552 N/A GLY 112.A N ALA 108.A O no hydrogen 2.749 N/A ALA 115.A N SER 113.A O no hydrogen 2.660 N/A LEU 116.A N GLY 70.A O no hydrogen 2.882 N/A GLY 117.A N GLY 70.A O no hydrogen 2.936 N/A VAL 119.A N VAL 103.A O no hydrogen 3.078 N/A ILE 120.A N LEU 72.A O no hydrogen 2.842 N/A SER 121.A N GLU 101.A O no hydrogen 3.040 N/A TYR 122.A N LEU 74.A O no hydrogen 2.901 N/A TYR 122.A OH ALA 38.A O no hydrogen 2.817 N/A ASP 123.A N ARG 99.A O no hydrogen 3.004 N/A THR 124.A N ASP 76.A OD2 no hydrogen 2.808 N/A THR 124.A OG1 ASP 76.A OD1 no hydrogen 2.331 N/A THR 124.A OG1 ASP 76.A OD2 no hydrogen 3.084 N/A VAL 125.A N LEU 96.A O no hydrogen 2.959 N/A ASP 126.A N ASP 129.A OD2 no hydrogen 2.747 N/A LYS 128.A NZ ASP 126.A OD1 no hydrogen 2.677 N/A LYS 128.A NZ ASP 126.A OD2 no hydrogen 2.853 N/A LYS 128.A NZ ASP 166.A OD1 no hydrogen 2.534 N/A GLN 132.A N ALA 127.A O no hydrogen 3.089 N/A GLY 138.A N PHE 159.A O no hydrogen 2.829 N/A PHE 139.A N TRP 621.A O no hydrogen 3.317 N/A ARG 140.A N SER 157.A O no hydrogen 3.149 N/A VAL 141.A N TYR 619.A O no hydrogen 3.105 N/A PHE 142.A N GLY 155.A O no hydrogen 2.941 N/A GLY 143.A N VAL 617.A O no hydrogen 2.708 N/A THR 144.A N GLY 153.A O no hydrogen 2.833 N/A THR 144.A OG1 ILE 615.A O no hydrogen 2.705 N/A GLY 145.A N ILE 615.A O no hydrogen 2.943 N/A GLY 146.A N SER 151.A O no hydrogen 3.203 N/A THR 147.A N GLY 613.A O no hydrogen 2.900 N/A THR 147.A OG1 ASN 612.A OD1 no hydrogen 3.112 N/A GLY 148.A N ASN 612.A OD1 no hydrogen 2.575 N/A HIS 150.A N THR 147.A O no hydrogen 3.110 N/A HIS 150.A ND1 ASP 178.A O no hydrogen 2.805 N/A SER 151.A N GLY 146.A O no hydrogen 2.914 N/A SER 151.A OG GLY 146.A O no hydrogen 3.222 N/A SER 151.A OG ASP 149.A OD1 no hydrogen 2.624 N/A LEU 152.A N ASP 175.A O no hydrogen 2.768 N/A GLY 153.A N THR 144.A O no hydrogen 2.913 N/A LEU 154.A N SER 173.A O no hydrogen 2.885 N/A GLY 155.A N PHE 142.A O no hydrogen 3.017 N/A ALA 156.A N TRP 171.A O no hydrogen 2.802 N/A SER 157.A N ARG 140.A O no hydrogen 2.801 N/A SER 157.A OG ARG 140.A O no hydrogen 3.505 N/A ALA 158.A N VAL 169.A O no hydrogen 2.794 N/A PHE 159.A N GLY 138.A O no hydrogen 3.029 N/A GLY 160.A N GLY 167.A O no hydrogen 3.040 N/A ARG 161.A N SER 136.A O no hydrogen 2.799 N/A ARG 161.A NH1 GLN 135.A O no hydrogen 3.134 N/A THR 162.A N LEU 165.A O no hydrogen 2.587 N/A ASP 166.A N THR 201.A O no hydrogen 3.093 N/A GLY 167.A N GLY 160.A O no hydrogen 2.917 N/A ILE 168.A N LYS 199.A O no hydrogen 2.743 N/A VAL 169.A N ALA 158.A O no hydrogen 2.861 N/A ALA 170.A N LEU 197.A O no hydrogen 2.779 N/A TRP 171.A N ALA 156.A O no hydrogen 2.790 N/A SER 172.A N ASN 195.A O no hydrogen 3.030 N/A SER 173.A N LEU 154.A O no hydrogen 2.766 N/A ARG 174.A N ILE 193.A O no hydrogen 2.851 N/A ASP 175.A N LEU 152.A O no hydrogen 2.670 N/A ARG 176.A N GLU 191.A O no hydrogen 3.064 N/A ARG 176.A NE ASP 149.A OD2 no hydrogen 2.950 N/A ARG 176.A NH1 GLY 54.A O no hydrogen 2.836 N/A ARG 176.A NH1 GLU 191.A OE2 no hydrogen 2.655 N/A ARG 176.A NH2 GLY 54.A O no hydrogen 3.029 N/A ARG 176.A NH2 ASP 149.A OD2 no hydrogen 2.915 N/A GLY 177.A N ASP 149.A O no hydrogen 2.933 N/A LEU 179.A N ALA 187.A O no hydrogen 3.074 N/A ARG 180.A N GLY 148.A O no hydrogen 2.887 N/A SER 182.A N GLN 608.A O no hydrogen 2.875 N/A SER 182.A OG TYR 600.A O no hydrogen 3.327 N/A SER 182.A OG GLN 608.A O no hydrogen 2.283 N/A ASN 183.A ND2 GLN 181.A O no hydrogen 3.693 N/A ASN 183.A ND2 GLU 185.A O no hydrogen 3.687 N/A ALA 187.A N LEU 179.A O no hydrogen 3.153 N/A ASN 189.A N ASP 178.A OD1 no hydrogen 3.249 N/A GLU 191.A N ARG 176.A O no hydrogen 2.955 N/A SER 192.A N ASP 220.A O no hydrogen 2.774 N/A SER 192.A OG ASP 175.A OD1 no hydrogen 2.733 N/A ILE 193.A N ARG 174.A O no hydrogen 2.748 N/A ASN 194.A N ASN 218.A O no hydrogen 2.662 N/A ASN 195.A N SER 172.A O no hydrogen 3.013 N/A MET 196.A N TYR 216.A O no hydrogen 2.877 N/A LEU 197.A N ALA 170.A O no hydrogen 2.846 N/A ALA 198.A N VAL 214.A O no hydrogen 3.178 N/A LYS 199.A N ILE 168.A O no hydrogen 2.872 N/A LYS 199.A NZ ASP 126.A OD1 no hydrogen 3.438 N/A GLY 200.A N GLY 212.A O no hydrogen 2.946 N/A THR 201.A N ASP 166.A O no hydrogen 2.912 N/A THR 201.A OG1 SER 211.A OG no hydrogen 2.976 N/A TRP 202.A N LEU 210.A O no hydrogen 3.005 N/A GLN 203.A N ASN 164.A O no hydrogen 3.110 N/A ILE 204.A N GLN 208.A O no hydrogen 2.849 N/A ALA 207.A N ASP 205.A OD1 no hydrogen 2.609 N/A GLN 208.A N ASP 205.A OD1 no hydrogen 3.266 N/A SER 209.A N LYS 254.A O no hydrogen 2.929 N/A LEU 210.A N TRP 202.A O no hydrogen 3.095 N/A SER 211.A N SER 252.A O no hydrogen 2.662 N/A SER 211.A OG THR 201.A OG1 no hydrogen 2.976 N/A GLY 212.A N GLY 200.A O no hydrogen 2.875 N/A LEU 213.A N GLN 250.A O no hydrogen 2.900 N/A VAL 214.A N ALA 198.A O no hydrogen 2.953 N/A ARG 215.A N ASP 248.A O no hydrogen 2.926 N/A TYR 216.A N MET 196.A O no hydrogen 2.947 N/A TYR 217.A N GLN 246.A O no hydrogen 2.892 N/A ASN 218.A N ASN 194.A O no hydrogen 2.760 N/A ASN 218.A ND2 TYR 216.A OH no hydrogen 3.334 N/A ASN 219.A N THR 244.A O no hydrogen 2.785 N/A ASN 219.A ND2 GLU 191.A OE1 no hydrogen 3.154 N/A ASP 220.A N SER 192.A O no hydrogen 3.032 N/A ALA 221.A N ARG 242.A O no hydrogen 2.889 N/A ARG 222.A N ASP 190.A O no hydrogen 2.779 N/A GLU 223.A N VAL 240.A O no hydrogen 3.126 N/A LYS 225.A N PRO 238.A O no hydrogen 2.692 N/A GLN 228.A N ASN 226.A OD1 no hydrogen 2.870 N/A GLN 228.A NE2 GLY 58.A O no hydrogen 2.796 N/A THR 229.A OG1 ASN 226.A O no hydrogen 3.384 N/A THR 229.A OG1 GLU 231.A O no hydrogen 3.398 N/A THR 229.A OG1 ASN 237.A OD1 no hydrogen 3.111 N/A SER 233.A N ASN 237.A O no hydrogen 3.005 N/A SER 233.A OG GLU 234.A OE2 no hydrogen 2.256 N/A SER 236.A N SER 233.A OG no hydrogen 3.299 N/A SER 236.A OG GLU 234.A OE1 no hydrogen 3.059 N/A VAL 240.A N GLU 223.A O no hydrogen 2.714 N/A ARG 242.A N ALA 221.A O no hydrogen 2.916 N/A ARG 242.A NE GLU 223.A OE2 no hydrogen 3.262 N/A ARG 242.A NH1 LYS 225.A O no hydrogen 3.164 N/A ARG 242.A NH2 LYS 225.A O no hydrogen 2.570 N/A SER 243.A N ASN 277.A O no hydrogen 2.638 N/A THR 244.A N ASN 219.A O no hydrogen 2.789 N/A THR 244.A OG1 ASN 57.A OD1 no hydrogen 3.318 N/A ILE 245.A N ARG 275.A O no hydrogen 3.000 N/A GLN 246.A N TYR 217.A O no hydrogen 3.132 N/A GLN 246.A NE2 GLN 80.A OE1 no hydrogen 2.905 N/A GLN 246.A NE2 ASP 248.A OD1 no hydrogen 3.112 N/A ARG 247.A N GLU 273.A O no hydrogen 2.869 N/A ASP 248.A N ARG 215.A O no hydrogen 2.820 N/A ALA 249.A N TRP 271.A O no hydrogen 3.023 N/A GLN 250.A N LEU 213.A O no hydrogen 2.891 N/A LEU 251.A N ILE 269.A O no hydrogen 3.111 N/A SER 252.A N SER 211.A O no hydrogen 2.844 N/A TYR 253.A N ALA 267.A O no hydrogen 2.835 N/A TYR 253.A OH GLN 208.A OE1 no hydrogen 2.859 N/A LYS 254.A N SER 209.A O no hydrogen 2.855 N/A LYS 254.A NZ ASP 266.A OD2 no hydrogen 3.202 N/A LEU 255.A N ALA 265.A O no hydrogen 2.782 N/A ALA 256.A N ALA 207.A O no hydrogen 3.258 N/A ASN 260.A N PRO 257.A O no hydrogen 3.115 N/A ASN 264.A N ASN 293.A OD1 no hydrogen 2.766 N/A ALA 265.A N LEU 255.A O no hydrogen 3.225 N/A ASP 266.A N GLU 292.A O no hydrogen 2.776 N/A ALA 267.A N TYR 253.A O no hydrogen 2.972 N/A LYS 268.A N ARG 290.A O no hydrogen 2.942 N/A ILE 269.A N LEU 251.A O no hydrogen 2.964 N/A TYR 270.A N GLY 288.A O no hydrogen 2.877 N/A TYR 270.A OH GLU 312.A OE2 no hydrogen 2.990 N/A TRP 271.A N ALA 249.A O no hydrogen 2.945 N/A SER 272.A N THR 286.A O no hydrogen 2.866 N/A SER 272.A OG ASP 248.A OD2 no hydrogen 2.581 N/A GLU 273.A N ARG 247.A O no hydrogen 2.938 N/A VAL 274.A N GLN 284.A O no hydrogen 2.790 N/A ARG 275.A N ILE 245.A O no hydrogen 2.910 N/A ILE 276.A N ARG 282.A O no hydrogen 2.766 N/A ASN 277.A N SER 243.A O no hydrogen 3.060 N/A ALA 278.A N GLU 280.A O no hydrogen 2.993 N/A GLN 279.A N ASP 241.A O no hydrogen 2.863 N/A ARG 282.A N ILE 276.A O no hydrogen 2.760 N/A GLU 283.A N GLY 319.A O no hydrogen 3.056 N/A GLN 284.A N VAL 274.A O no hydrogen 2.784 N/A ILE 285.A N GLU 317.A O no hydrogen 2.752 N/A THR 286.A N SER 272.A O no hydrogen 2.956 N/A LYS 287.A N ARG 315.A O no hydrogen 2.832 N/A GLY 288.A N TYR 270.A O no hydrogen 3.031 N/A ALA 289.A N TYR 313.A O no hydrogen 2.754 N/A ARG 290.A N LYS 268.A O no hydrogen 2.901 N/A ARG 290.A NE GLU 312.A OE1 no hydrogen 3.150 N/A ARG 290.A NE GLU 312.A OE2 no hydrogen 3.375 N/A ARG 290.A NH1 GLY 77.A O no hydrogen 3.261 N/A ARG 290.A NH2 GLY 77.A O no hydrogen 3.037 N/A ARG 290.A NH2 GLU 312.A OE1 no hydrogen 3.242 N/A ARG 290.A NH2 GLU 312.A OE2 no hydrogen 3.527 N/A LEU 291.A N GLY 311.A O no hydrogen 2.975 N/A GLU 292.A N ASP 266.A O no hydrogen 3.076 N/A ASN 293.A N TYR 309.A O no hydrogen 3.189 N/A ASN 293.A ND2 TRP 262.A O no hydrogen 2.985 N/A ASN 293.A ND2 TYR 309.A OH no hydrogen 3.235 N/A ARG 294.A N ASN 264.A O no hydrogen 2.985 N/A ARG 294.A NH1 GLY 10.A O no hydrogen 2.677 N/A SER 295.A N LEU 307.A O no hydrogen 2.810 N/A SER 295.A OG TRP 262.A O no hydrogen 2.638 N/A SER 295.A OG TYR 309.A OH no hydrogen 3.138 N/A THR 296.A N ASP 261.A O no hydrogen 3.081 N/A THR 296.A OG1 ASP 261.A O no hydrogen 3.482 N/A LEU 297.A N HIS 305.A O no hydrogen 2.560 N/A ASP 300.A N ASP 300.A OD1 no hydrogen 2.643 N/A SER 301.A OG PHE 298.A O no hydrogen 2.430 N/A SER 304.A N THR 342.A O no hydrogen 2.695 N/A SER 304.A OG ALA 299.A O no hydrogen 3.147 N/A HIS 305.A N LEU 297.A O no hydrogen 2.957 N/A LEU 306.A N GLU 340.A O no hydrogen 2.864 N/A LEU 307.A N SER 295.A O no hydrogen 2.741 N/A THR 308.A N GLN 338.A O no hydrogen 2.997 N/A TYR 309.A N ASN 293.A O no hydrogen 3.287 N/A TYR 309.A OH SER 295.A OG no hydrogen 3.138 N/A GLY 310.A N TRP 336.A O no hydrogen 2.826 N/A GLY 311.A N LEU 291.A O no hydrogen 2.892 N/A GLU 312.A N SER 334.A O no hydrogen 2.990 N/A TYR 313.A N ALA 289.A O no hydrogen 3.033 N/A TYR 313.A OH ASP 331.A OD1 no hydrogen 3.112 N/A TYR 314.A N PHE 332.A O no hydrogen 3.041 N/A ARG 315.A N LYS 287.A O no hydrogen 2.780 N/A ARG 315.A NE ASP 331.A OD1 no hydrogen 2.529 N/A ARG 315.A NH2 ASP 331.A OD1 no hydrogen 3.249 N/A ARG 315.A NH2 ASP 331.A OD2 no hydrogen 2.777 N/A GLN 316.A N ILE 330.A O no hydrogen 2.834 N/A GLU 317.A N ILE 285.A O no hydrogen 2.805 N/A GLN 318.A N ALA 328.A O no hydrogen 3.141 N/A GLN 318.A NE2 PRO 326.A O no hydrogen 2.965 N/A GLY 319.A N GLU 283.A O no hydrogen 3.096 N/A SER 320.A OG TYR 281.A O no hydrogen 2.690 N/A THR 323.A N SER 410.A OG no hydrogen 3.395 N/A PHE 325.A N THR 323.A OG1 no hydrogen 3.186 N/A ALA 328.A N GLN 318.A O no hydrogen 3.041 N/A LYS 329.A N SER 362.A O no hydrogen 2.849 N/A ILE 330.A N GLN 316.A O no hydrogen 2.929 N/A ASP 331.A N ARG 360.A O no hydrogen 3.137 N/A PHE 332.A N TYR 314.A O no hydrogen 2.864 N/A SER 333.A N SER 358.A O no hydrogen 2.677 N/A SER 334.A N GLU 312.A O no hydrogen 3.192 N/A SER 334.A OG GLU 312.A O no hydrogen 3.543 N/A GLY 335.A N TYR 356.A O no hydrogen 3.204 N/A TRP 336.A N GLY 310.A O no hydrogen 2.643 N/A LEU 337.A N THR 354.A O no hydrogen 2.997 N/A GLN 338.A N THR 308.A O no hydrogen 2.835 N/A ASP 339.A N GLY 352.A O no hydrogen 2.741 N/A GLU 340.A N LEU 306.A O no hydrogen 2.887 N/A ILE 341.A N LEU 350.A O no hydrogen 2.667 N/A THR 342.A N SER 304.A O no hydrogen 2.960 N/A LEU 343.A N ILE 348.A O no hydrogen 3.253 N/A ARG 344.A N PHE 302.A O no hydrogen 3.068 N/A THR 349.A N THR 381.A O no hydrogen 2.975 N/A LEU 350.A N ILE 341.A O no hydrogen 2.842 N/A LEU 351.A N GLY 379.A O no hydrogen 2.689 N/A GLY 352.A N ASP 339.A O no hydrogen 2.779 N/A GLY 353.A N ARG 377.A O no hydrogen 3.221 N/A THR 354.A N LEU 337.A O no hydrogen 2.999 N/A ARG 355.A N SER 375.A O no hydrogen 2.984 N/A ARG 355.A NE ASP 357.A OD1 no hydrogen 3.339 N/A ARG 355.A NE ASP 357.A OD2 no hydrogen 2.818 N/A ARG 355.A NH1 LEU 109.A O no hydrogen 3.301 N/A TYR 356.A N GLY 335.A O no hydrogen 2.717 N/A TYR 356.A OH ASP 372.A OD1 no hydrogen 2.652 N/A ASP 357.A N LYS 373.A O no hydrogen 2.817 N/A SER 358.A N SER 333.A O no hydrogen 2.707 N/A TYR 359.A N ALA 371.A O no hydrogen 3.175 N/A ARG 360.A N ASP 331.A O no hydrogen 3.124 N/A GLY 361.A N VAL 369.A O no hydrogen 2.840 N/A SER 362.A N LYS 329.A O no hydrogen 2.874 N/A SER 363.A OG GLN 327.A O no hydrogen 2.623 N/A TYR 366.A OH ASP 409.A OD2 no hydrogen 2.897 N/A VAL 369.A N GLY 361.A O no hydrogen 2.986 N/A ALA 371.A N TYR 359.A O no hydrogen 3.381 N/A LYS 373.A N ASP 357.A O no hydrogen 2.822 N/A LYS 373.A NZ ALA 397.A O no hydrogen 3.386 N/A SER 375.A N ARG 355.A O no hydrogen 3.248 N/A SER 376.A N GLN 396.A OE1 no hydrogen 2.960 N/A ARG 377.A N GLY 353.A O no hydrogen 3.129 N/A ARG 377.A NH1 PRO 106.A O no hydrogen 3.444 N/A ALA 378.A N TYR 394.A O no hydrogen 2.722 N/A GLY 379.A N LEU 351.A O no hydrogen 2.838 N/A MET 380.A N GLY 392.A O no hydrogen 2.829 N/A THR 381.A N THR 349.A O no hydrogen 2.943 N/A THR 381.A OG1 LEU 390.A O no hydrogen 3.441 N/A ILE 382.A N LEU 390.A O no hydrogen 2.777 N/A ASN 383.A N PRO 347.A O no hydrogen 3.185 N/A ASN 383.A ND2 PRO 347.A O no hydrogen 3.253 N/A ASN 386.A N THR 385.A OG1 no hydrogen 2.440 N/A LEU 388.A N THR 385.A OG1 no hydrogen 3.250 N/A LEU 390.A N ILE 382.A O no hydrogen 2.787 N/A PHE 391.A N GLY 440.A O no hydrogen 2.961 N/A GLY 392.A N MET 380.A O no hydrogen 2.857 N/A SER 393.A N GLU 438.A O no hydrogen 2.635 N/A TYR 394.A N ALA 378.A O no hydrogen 2.573 N/A TYR 394.A OH GLU 435.A OE2 no hydrogen 2.303 N/A ALA 395.A N THR 436.A O no hydrogen 3.100 N/A GLN 396.A NE2 TYR 394.A OH no hydrogen 3.500 N/A ALA 397.A N ASN 434.A O no hydrogen 3.059 N/A ARG 399.A N GLU 432.A O no hydrogen 2.782 N/A ARG 399.A NH1 ALA 400.A O no hydrogen 3.437 N/A ARG 399.A NH1 GLU 405.A OE1 no hydrogen 2.851 N/A ARG 399.A NH1 GLU 405.A OE2 no hydrogen 3.507 N/A ARG 399.A NH2 GLU 405.A OE2 no hydrogen 3.396 N/A ALA 400.A N SER 113.A OG no hydrogen 3.036 N/A THR 402.A N GLU 405.A OE1 no hydrogen 2.643 N/A MET 406.A N THR 402.A O no hydrogen 2.868 N/A TYR 407.A N MET 403.A O no hydrogen 2.823 N/A TYR 407.A OH GLY 361.A O no hydrogen 2.903 N/A TYR 407.A OH LYS 367.A O no hydrogen 2.967 N/A ASN 408.A N GLY 404.A O no hydrogen 3.049 N/A SER 410.A OG ASN 408.A OD1 no hydrogen 3.202 N/A HIS 412.A N ASN 421.A O no hydrogen 2.513 N/A GLY 416.A N SER 414.A O no hydrogen 2.312 N/A TYR 419.A OH ASN 421.A OD1 no hydrogen 2.709 N/A TYR 419.A OH PHE 476.A O no hydrogen 2.575 N/A ASN 421.A N PHE 413.A O no hydrogen 2.974 N/A TYR 422.A N ALA 479.A O no hydrogen 2.967 N/A TRP 423.A N SER 410.A O no hydrogen 3.032 N/A VAL 424.A N THR 481.A O no hydrogen 3.024 N/A ASN 426.A ND2 SER 483.A O no hydrogen 2.957 N/A ASN 428.A N ASN 426.A OD1 no hydrogen 2.733 N/A ARG 430.A N ASN 485.A OD1 no hydrogen 2.615 N/A ARG 430.A NE ASP 468.A OD2 no hydrogen 3.051 N/A ARG 430.A NH2 ASP 468.A OD1 no hydrogen 2.796 N/A GLU 432.A N ARG 399.A O no hydrogen 3.109 N/A THR 433.A N LYS 467.A O no hydrogen 3.052 N/A THR 433.A OG1 LYS 467.A O no hydrogen 3.519 N/A ASN 434.A N ALA 397.A O no hydrogen 2.878 N/A ASN 434.A ND2 TYR 66.A OH no hydrogen 3.336 N/A ASN 434.A ND2 LEU 116.A O no hydrogen 2.696 N/A GLU 435.A N LYS 465.A O no hydrogen 2.953 N/A THR 436.A N ALA 395.A O no hydrogen 2.984 N/A GLN 437.A N ASP 463.A O no hydrogen 2.628 N/A GLU 438.A N SER 393.A O no hydrogen 3.248 N/A TYR 439.A N TYR 461.A O no hydrogen 2.997 N/A GLY 440.A N PHE 391.A O no hydrogen 3.158 N/A PHE 441.A N ALA 459.A O no hydrogen 2.969 N/A GLY 442.A N MET 389.A O no hydrogen 2.543 N/A LEU 443.A N PHE 457.A O no hydrogen 2.813 N/A ARG 444.A N TRP 387.A O no hydrogen 2.683 N/A ARG 444.A NH1 GLU 2.A OE2 no hydrogen 2.270 N/A PHE 445.A N LEU 455.A O no hydrogen 2.867 N/A ASN 452.A ND2 ASP 503.A OD1 no hydrogen 3.545 N/A ASN 452.A ND2 ASP 503.A OD2 no hydrogen 2.805 N/A ASP 453.A N SER 451.A OG no hydrogen 2.957 N/A ALA 454.A N THR 501.A O no hydrogen 2.855 N/A LEU 455.A N PHE 445.A O no hydrogen 2.804 N/A GLU 456.A N LYS 499.A O no hydrogen 3.024 N/A PHE 457.A N LEU 443.A O no hydrogen 2.831 N/A LYS 458.A N MET 497.A O no hydrogen 2.771 N/A LYS 458.A NZ SER 15.A O no hydrogen 3.267 N/A LYS 458.A NZ PHE 16.A O no hydrogen 2.826 N/A LYS 458.A NZ ALA 18.A O no hydrogen 2.792 N/A LYS 458.A NZ MET 20.A O no hydrogen 2.935 N/A ALA 459.A N PHE 441.A O no hydrogen 3.041 N/A SER 460.A N ASP 495.A O no hydrogen 2.979 N/A SER 460.A OG GLU 438.A OE2 no hydrogen 2.646 N/A TYR 461.A N TYR 439.A O no hydrogen 2.728 N/A PHE 462.A N GLY 493.A O no hydrogen 2.957 N/A ASP 463.A N GLN 437.A O no hydrogen 2.674 N/A THR 464.A N ILE 491.A O no hydrogen 2.674 N/A LYS 465.A N GLU 435.A O no hydrogen 2.782 N/A LYS 465.A NZ ASP 463.A OD2 no hydrogen 3.147 N/A ALA 466.A N ALA 489.A O no hydrogen 2.828 N/A LYS 467.A N THR 433.A O no hydrogen 2.901 N/A ASP 468.A N PRO 487.A O no hydrogen 2.909 N/A TYR 469.A N VAL 486.A O no hydrogen 2.949 N/A TYR 469.A OH ASP 518.A OD1 no hydrogen 2.796 N/A ILE 470.A N GLU 432.A OE1 no hydrogen 3.271 N/A SER 471.A N TYR 484.A O no hydrogen 2.784 N/A THR 473.A N MET 482.A O no hydrogen 2.859 N/A ASP 475.A N THR 480.A O no hydrogen 2.837 N/A ALA 478.A N ASP 475.A O no hydrogen 3.218 N/A ALA 478.A N ASP 475.A OD2 no hydrogen 3.154 N/A ALA 479.A N PHE 476.A O no hydrogen 3.145 N/A THR 480.A N ASP 475.A O no hydrogen 3.422 N/A THR 481.A N TYR 422.A O no hydrogen 3.095 N/A MET 482.A N THR 473.A O no hydrogen 2.889 N/A SER 483.A OG GLU 405.A O no hydrogen 3.134 N/A TYR 484.A N SER 471.A O no hydrogen 2.824 N/A ASN 485.A ND2 ARG 430.A O no hydrogen 3.041 N/A ASN 485.A ND2 ASP 468.A O no hydrogen 2.756 N/A VAL 486.A N TYR 469.A O no hydrogen 2.719 N/A ASN 488.A ND2 ASP 520.A OD2 no hydrogen 3.055 N/A ALA 489.A N ALA 466.A O no hydrogen 2.688 N/A LYS 490.A N LYS 517.A O no hydrogen 3.084 N/A ILE 491.A N THR 464.A O no hydrogen 2.850 N/A TRP 492.A N ARG 515.A O no hydrogen 2.754 N/A GLY 493.A N PHE 462.A O no hydrogen 3.090 N/A TRP 494.A N ARG 513.A O no hydrogen 2.976 N/A ASP 495.A N SER 460.A O no hydrogen 2.949 N/A VAL 496.A N TYR 511.A O no hydrogen 2.980 N/A MET 497.A N LYS 458.A O no hydrogen 2.711 N/A THR 498.A N VAL 509.A O no hydrogen 2.939 N/A LYS 499.A N GLU 456.A O no hydrogen 2.918 N/A LYS 499.A NZ ASP 508.A OD2 no hydrogen 3.514 N/A TYR 500.A N LEU 507.A O no hydrogen 2.861 N/A TYR 500.A OH ASP 453.A OD2 no hydrogen 3.195 N/A THR 501.A N ALA 454.A O no hydrogen 2.833 N/A THR 502.A N PHE 505.A O no hydrogen 2.917 N/A THR 502.A OG1 PHE 505.A O no hydrogen 3.009 N/A LEU 504.A N THR 502.A OG1 no hydrogen 2.929 N/A PHE 505.A N THR 502.A OG1 no hydrogen 3.091 N/A SER 506.A N ASN 538.A O no hydrogen 2.765 N/A LEU 507.A N TYR 500.A O no hydrogen 2.820 N/A ASP 508.A N THR 536.A O no hydrogen 3.039 N/A VAL 509.A N THR 498.A O no hydrogen 2.884 N/A ALA 510.A N THR 534.A O no hydrogen 2.718 N/A TYR 511.A N VAL 496.A O no hydrogen 2.927 N/A ASN 512.A N THR 532.A O no hydrogen 2.895 N/A ASN 512.A ND2 ASP 495.A OD1 no hydrogen 2.841 N/A ARG 513.A N TRP 494.A O no hydrogen 2.863 N/A ARG 513.A NE ASP 531.A OD1 no hydrogen 3.036 N/A ARG 513.A NE ASP 531.A OD2 no hydrogen 3.250 N/A ARG 513.A NH2 ASP 531.A OD2 no hydrogen 2.710 N/A THR 514.A OG1 ASN 512.A OD1 no hydrogen 2.736 N/A THR 514.A OG1 ASN 529.A OD1 no hydrogen 3.439 N/A ARG 515.A N TRP 492.A O no hydrogen 2.780 N/A LYS 517.A N LYS 490.A O no hydrogen 3.120 N/A ASP 518.A N GLU 523.A O no hydrogen 2.908 N/A THR 519.A OG1 ASN 488.A O no hydrogen 3.172 N/A ASP 520.A N ASP 518.A OD2 no hydrogen 2.969 N/A GLY 522.A N ASP 518.A O no hydrogen 2.623 N/A GLU 523.A N THR 521.A OG1 no hydrogen 2.920 N/A ILE 525.A N GLY 516.A O no hydrogen 2.849 N/A SER 527.A OG GLY 65.A O no hydrogen 3.367 N/A ASN 529.A ND2 ASN 512.A OD1 no hydrogen 2.668 N/A ASN 529.A ND2 PRO 530.A O no hydrogen 2.766 N/A THR 532.A N ASN 512.A O no hydrogen 3.254 N/A THR 532.A OG1 PRO 530.A O no hydrogen 3.142 N/A VAL 533.A N PHE 554.A O no hydrogen 2.772 N/A THR 534.A N ALA 510.A O no hydrogen 2.972 N/A THR 534.A OG1 HIS 44.A O no hydrogen 3.504 N/A SER 535.A N GLY 552.A O no hydrogen 2.807 N/A SER 535.A OG ASP 508.A O no hydrogen 3.319 N/A THR 536.A N ASP 508.A O no hydrogen 2.734 N/A LEU 537.A N TRP 550.A O no hydrogen 2.973 N/A ASN 538.A N SER 506.A O no hydrogen 2.863 N/A ILE 539.A N VAL 548.A O no hydrogen 2.962 N/A ILE 541.A N PHE 546.A O no hydrogen 2.796 N/A ALA 542.A N PRO 540.A O no hydrogen 3.075 N/A SER 544.A N ILE 541.A O no hydrogen 3.270 N/A SER 544.A OG ILE 541.A O no hydrogen 2.677 N/A PHE 546.A N SER 544.A OG no hydrogen 3.383 N/A SER 547.A N SER 576.A O no hydrogen 2.808 N/A VAL 548.A N ILE 539.A O no hydrogen 3.020 N/A GLY 549.A N TYR 574.A O no hydrogen 2.995 N/A TRP 550.A N LEU 537.A O no hydrogen 2.948 N/A VAL 551.A N ASP 572.A O no hydrogen 2.759 N/A GLY 552.A N SER 535.A O no hydrogen 2.967 N/A THR 553.A N VAL 570.A O no hydrogen 2.874 N/A PHE 554.A N VAL 533.A O no hydrogen 2.772 N/A ALA 555.A N TYR 568.A O no hydrogen 3.056 N/A ASP 556.A N ASP 531.A O no hydrogen 2.645 N/A ARG 557.A N ASP 556.A OD1 no hydrogen 2.937 N/A SER 558.A N GLN 565.A O no hydrogen 3.053 N/A SER 558.A OG GLN 565.A O no hydrogen 3.111 N/A GLN 565.A N SER 558.A OG no hydrogen 2.723 N/A TYR 568.A N ALA 555.A O no hydrogen 3.222 N/A VAL 570.A N THR 553.A O no hydrogen 2.832 N/A ASP 572.A N VAL 551.A O no hydrogen 2.593 N/A PHE 573.A N LEU 592.A O no hydrogen 2.811 N/A TYR 574.A N GLY 549.A O no hydrogen 2.968 N/A TYR 574.A OH ASN 538.A OD1 no hydrogen 2.592 N/A VAL 575.A N LEU 590.A O no hydrogen 2.726 N/A SER 576.A N SER 547.A O no hydrogen 2.774 N/A TYR 577.A N THR 588.A O no hydrogen 2.829 N/A GLN 578.A N GLY 545.A O no hydrogen 2.918 N/A GLN 580.A N TYR 577.A OH no hydrogen 3.298 N/A LEU 583.A N GLN 580.A O no hydrogen 2.811 N/A LYS 584.A N GLN 581.A O no hydrogen 3.239 N/A MET 586.A N LEU 583.A O no hydrogen 3.292 N/A THR 587.A N SER 618.A O no hydrogen 2.886 N/A THR 588.A N TYR 577.A O no hydrogen 3.137 N/A THR 589.A N PHE 616.A O no hydrogen 2.939 N/A LEU 590.A N VAL 575.A O no hydrogen 2.579 N/A VAL 591.A N LYS 614.A O no hydrogen 2.873 N/A LEU 592.A N PHE 573.A O no hydrogen 2.717 N/A ASN 594.A N ASP 572.A OD1 no hydrogen 3.015 N/A ASN 594.A ND2 LYS 598.A O no hydrogen 3.156 N/A ASN 594.A ND2 ASP 609.A O no hydrogen 2.492 N/A ALA 595.A N ASN 571.A O no hydrogen 3.057 N/A ASP 597.A N ASN 594.A O no hydrogen 2.837 N/A SER 602.A N ILE 606.A O no hydrogen 2.963 N/A SER 602.A OG ILE 606.A O no hydrogen 3.287 N/A GLY 605.A N SER 602.A O no hydrogen 3.133 N/A ILE 606.A N SER 602.A OG no hydrogen 3.315 N/A GLN 608.A N TYR 600.A O no hydrogen 3.074 N/A GLN 608.A NE2 ILE 606.A O no hydrogen 3.478 N/A ASP 609.A N ASP 609.A OD1 no hydrogen 2.266 N/A ARG 611.A NE ALA 595.A O no hydrogen 3.187 N/A GLY 613.A N THR 147.A OG1 no hydrogen 2.834 N/A LYS 614.A N VAL 591.A O no hydrogen 2.990 N/A ILE 615.A N GLY 145.A O no hydrogen 2.993 N/A PHE 616.A N THR 589.A O no hydrogen 3.048 N/A VAL 617.A N GLY 143.A O no hydrogen 2.928 N/A SER 618.A N THR 587.A O no hydrogen 2.764 N/A TYR 619.A N VAL 141.A O no hydrogen 2.925 N/A GLN 620.A N GLY 585.A O no hydrogen 2.924 N/A GLN 620.A NE2 LEU 131.A O no hydrogen 2.611 N/A TRP 621.A N PHE 139.A O no hydrogen 3.037 N/A