Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ib3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A N ASN 32.A O no hydrogen 2.724 N/A LEU 8.A N ASN 5.A O no hydrogen 3.021 N/A THR 11.A N VAL 24.A O no hydrogen 2.868 N/A HIS 12.A N GLU 15.A OE1 no hydrogen 3.131 N/A ASN 14.A N HIS 12.A ND1 no hydrogen 3.350 N/A GLU 15.A N HIS 12.A O no hydrogen 2.769 N/A VAL 16.A N VAL 13.A O no hydrogen 3.467 N/A LYS 17.A N ASN 21.A OD1 no hydrogen 3.028 N/A LYS 17.A NZ ASN 14.A O no hydrogen 3.003 N/A GLY 19.A N LYS 37.A O no hydrogen 2.772 N/A ASN 21.A ND2 LYS 17.A O no hydrogen 2.712 N/A VAL 24.A N THR 11.A OG1 no hydrogen 2.809 N/A VAL 25.A N GLN 33.A O no hydrogen 2.687 N/A SER 27.A N VAL 25.A O no hydrogen 2.930 N/A SER 27.A N GLY 31.A O no hydrogen 3.031 N/A SER 27.A OG GLN 29.A OE1 no hydrogen 3.559 N/A SER 27.A OG GLY 98.A O no hydrogen 2.771 N/A GLN 29.A N SER 27.A OG no hydrogen 3.193 N/A TYR 30.A N SER 27.A OG no hydrogen 2.855 N/A GLY 31.A N SER 27.A O no hydrogen 3.315 N/A ASN 32.A ND2 ASN 5.A O no hydrogen 3.608 N/A ASN 32.A ND2 LEU 8.A O no hydrogen 2.943 N/A GLN 33.A N VAL 25.A O no hydrogen 3.119 N/A GLN 33.A NE2 HIS 1.A O no hydrogen 3.386 N/A GLN 33.A NE2 TYR 30.A O no hydrogen 2.906 N/A ILE 35.A N ARG 54.A O no hydrogen 2.982 N/A LYS 37.A N GLY 19.A O no hydrogen 2.946 N/A LYS 37.A NZ VAL 16.A O no hydrogen 3.131 N/A ASP 38.A N ASN 51.A OD1 no hydrogen 3.363 N/A GLY 39.A N ILE 50.A O no hydrogen 2.952 N/A VAL 41.A N LEU 48.A O no hydrogen 2.850 N/A ARG 43.A NE GLU 135.A OE1 no hydrogen 2.735 N/A GLU 46.A N ASP 44.A OD1 no hydrogen 2.934 N/A LEU 48.A N VAL 41.A O no hydrogen 2.982 N/A ILE 50.A N GLY 39.A O no hydrogen 2.770 N/A ASN 51.A N LYS 109.A O no hydrogen 2.985 N/A ASN 51.A ND2 ASP 72.A OD1 no hydrogen 2.653 N/A ILE 52.A N GLU 36.A O.A no hydrogen 2.851 N/A ILE 52.A N GLU 36.A O.B no hydrogen 2.928 N/A PHE 53.A N VAL 107.A O no hydrogen 2.880 N/A ARG 54.A N ILE 35.A O no hydrogen 2.927 N/A ARG 54.A NE GLU 36.A OE2.B no hydrogen 2.645 N/A ARG 54.A NH2 GLU 36.A OE2.B no hydrogen 3.092 N/A LYS 57.A NZ ASP 104.A OD1 no hydrogen 3.076 N/A LYS 57.A NZ ASP 104.A OD2 no hydrogen 3.323 N/A ASP 58.A N ASP 58.A OD1 no hydrogen 2.194 N/A PHE 61.A N TRP 145.A O no hydrogen 2.817 N/A VAL 63.A N ASN 149.A O no hydrogen 2.936 N/A VAL 64.A N VAL 106.A O no hydrogen 2.783 N/A ASP 67.A N VAL 110.A O no hydrogen 3.306 N/A THR 68.A OG1 TYR 157.A OH no hydrogen 2.813 N/A TYR 69.A N ASP 67.A OD1 no hydrogen 2.708 N/A LYS 71.A NZ ASP 38.A OD1 no hydrogen 2.813 N/A LYS 71.A NZ ASN 51.A OD1 no hydrogen 2.703 N/A LYS 71.A NZ ASP 72.A OD1 no hydrogen 3.348 N/A LYS 71.A NZ ASP 72.A OD2 no hydrogen 2.514 N/A ASN 73.A ND2 TYR 69.A O no hydrogen 3.098 N/A LYS 74.A NZ ASN 14.A OD1 no hydrogen 2.314 N/A TRP 78.A NE1 SER 506.A OG no hydrogen 2.754 N/A THR 80.A OG1 HIS 429.A O no hydrogen 2.552 N/A THR 80.A OG1 SER 506.A OG no hydrogen 3.117 N/A LEU 81.A N TRP 78.A O no hydrogen 3.151 N/A THR 83.A N GLU 286.A OE1 no hydrogen 2.857 N/A THR 86.A OG1 SER 87.A O no hydrogen 2.818 N/A SER 87.A N ASP 96.A OD2 no hydrogen 2.812 N/A SER 87.A OG THR 90.A OG1 no hydrogen 3.209 N/A SER 87.A OG ASP 96.A OD1 no hydrogen 2.726 N/A SER 88.A N ASP 26.A OD1 no hydrogen 2.760 N/A SER 88.A OG ASP 26.A OD1 no hydrogen 3.272 N/A SER 88.A OG ASP 26.A OD2 no hydrogen 2.960 N/A PHE 89.A N SER 87.A OG no hydrogen 3.175 N/A THR 90.A OG1 SER 87.A OG no hydrogen 3.209 N/A SER 94.A N PRO 91.A O no hydrogen 3.054 N/A SER 94.A OG PRO 91.A O no hydrogen 2.774 N/A GLY 98.A N ASP 96.A OD1 no hydrogen 2.763 N/A PHE 99.A N ASP 96.A O no hydrogen 2.879 N/A TRP 100.A N ASP 96.A O no hydrogen 3.087 N/A VAL 101.A N PRO 97.A O no hydrogen 3.026 N/A ASN 103.A N TRP 100.A O no hydrogen 3.016 N/A ASN 103.A ND2 TYR 30.A OH no hydrogen 2.682 N/A ASN 103.A ND2 PHE 99.A O no hydrogen 2.893 N/A ASP 104.A N VAL 101.A O no hydrogen 2.988 N/A TYR 105.A OH ASP 302.A OD1 no hydrogen 2.446 N/A VAL 106.A N PRO 62.A O no hydrogen 2.882 N/A VAL 107.A N PHE 53.A O no hydrogen 2.920 N/A VAL 108.A N VAL 64.A O no hydrogen 2.837 N/A LYS 109.A N ASN 51.A O no hydrogen 2.942 N/A LYS 109.A NZ SER 65.A OG no hydrogen 3.189 N/A LYS 109.A NZ ASP 67.A OD2 no hydrogen 2.316 N/A LYS 109.A NZ SER 94.A OG no hydrogen 3.393 N/A VAL 110.A N SER 65.A O no hydrogen 2.786 N/A ALA 111.A N TYR 49.A O no hydrogen 2.924 N/A LEU 112.A N ASP 67.A O no hydrogen 2.653 N/A ARG 113.A NE ASP 132.A OD2 no hydrogen 2.660 N/A ARG 113.A NH1 ASP 44.A OD2 no hydrogen 3.013 N/A ARG 113.A NH2 ASP 44.A OD1 no hydrogen 3.443 N/A ARG 113.A NH2 ASP 44.A OD2 no hydrogen 3.280 N/A ARG 113.A NH2 ASP 132.A OD1 no hydrogen 3.030 N/A ARG 113.A NH2 ASP 132.A OD2 no hydrogen 3.570 N/A GLY 114.A N SER 118.A OG no hydrogen 2.885 N/A SER 115.A N LEU 112.A O no hydrogen 2.944 N/A SER 115.A OG LEU 112.A O no hydrogen 2.542 N/A LYS 117.A NZ ASP 38.A OD1 no hydrogen 2.794 N/A LYS 117.A NZ ASP 38.A OD2 no hydrogen 3.244 N/A LYS 117.A NZ ASP 116.A OD1 no hydrogen 3.517 N/A LYS 117.A NZ ASP 116.A OD2 no hydrogen 2.445 N/A SER 118.A N SER 115.A O no hydrogen 3.042 N/A SER 118.A OG GLU 46.A OE2 no hydrogen 2.574 N/A LYS 119.A NZ ASP 116.A O no hydrogen 2.833 N/A LYS 119.A NZ ASP 212.A OD1 no hydrogen 2.799 N/A LYS 119.A NZ ASP 212.A OD2 no hydrogen 3.368 N/A GLY 120.A N SER 118.A OG no hydrogen 3.402 N/A LEU 122.A N ASN 215.A O no hydrogen 3.165 N/A SER 123.A OG SER 126.A OG no hydrogen 3.224 N/A SER 123.A OG GLU 217.A OE1 no hydrogen 2.864 N/A TRP 125.A N GLU 129.A OE1 no hydrogen 2.854 N/A SER 126.A OG SER 123.A O no hydrogen 2.789 N/A SER 126.A OG SER 123.A OG no hydrogen 3.224 N/A LYS 127.A NZ GLU 131.A OE2 no hydrogen 3.319 N/A GLU 129.A N SER 126.A OG no hydrogen 3.329 N/A ALA 130.A N SER 126.A O no hydrogen 3.305 N/A GLU 131.A N LYS 127.A O no hydrogen 2.993 N/A ASP 132.A N ARG 128.A O no hydrogen 3.309 N/A TYR 133.A N GLU 129.A O no hydrogen 2.991 N/A TYR 134.A N ALA 130.A O no hydrogen 2.767 N/A GLU 135.A N GLU 131.A O no hydrogen 3.189 N/A VAL 136.A N ASP 132.A O no hydrogen 3.307 N/A VAL 136.A N TYR 133.A O no hydrogen 3.019 N/A ILE 137.A N TYR 133.A O no hydrogen 3.141 N/A GLU 138.A N TYR 134.A O no hydrogen 3.014 N/A TRP 139.A N GLU 135.A O no hydrogen 2.874 N/A ALA 140.A N VAL 136.A O no hydrogen 2.841 N/A ALA 141.A N ILE 137.A O no hydrogen 3.122 N/A ASN 142.A N TRP 139.A O no hydrogen 3.077 N/A ASN 142.A ND2 GLU 138.A O no hydrogen 3.356 N/A GLN 143.A N ALA 140.A O no hydrogen 3.396 N/A GLN 143.A NE2 TRP 139.A O no hydrogen 2.881 N/A SER 146.A N GLN 143.A O no hydrogen 3.073 N/A SER 146.A OG ALA 140.A O no hydrogen 2.943 N/A ASN 147.A N PHE 61.A O no hydrogen 2.925 N/A ASN 147.A ND2 LEU 305.A O no hydrogen 3.506 N/A GLY 148.A N SER 146.A OG no hydrogen 3.018 N/A ASN 149.A N ASN 147.A OD1 no hydrogen 2.856 N/A ASN 149.A ND2 LEU 305.A O no hydrogen 2.942 N/A ASN 149.A ND2 GLU 307.A OE2 no hydrogen 2.697 N/A ILE 150.A N HIS 172.A O no hydrogen 3.193 N/A GLY 151.A N VAL 63.A O no hydrogen 2.714 N/A THR 152.A N ALA 175.A O no hydrogen 3.290 N/A THR 152.A OG1 GLN 162.A OE1 no hydrogen 2.614 N/A ASN 153.A ND2 GLN 297.A OE1 no hydrogen 2.803 N/A VAL 155.A N GLU 93.A O no hydrogen 3.020 N/A SER 156.A N GLU 179.A O no hydrogen 3.163 N/A SER 156.A OG HIS 259.A NE2 no hydrogen 2.752 N/A TYR 157.A OH GLU 129.A OE2 no hydrogen 2.761 N/A LEU 158.A N VAL 155.A O no hydrogen 2.797 N/A ALA 159.A N SER 156.A O no hydrogen 2.563 N/A VAL 160.A N SER 156.A O no hydrogen 2.943 N/A THR 161.A N TYR 157.A O no hydrogen 3.246 N/A THR 161.A OG1 ALA 66.A O no hydrogen 3.044 N/A THR 161.A OG1 TYR 157.A O no hydrogen 3.133 N/A GLN 162.A NE2 LEU 158.A O no hydrogen 2.936 N/A GLN 162.A NE2 ILE 176.A O no hydrogen 2.879 N/A TRP 163.A N ALA 159.A O no hydrogen 3.098 N/A TRP 163.A NE1 GLY 180.A O no hydrogen 2.982 N/A TRP 164.A N VAL 160.A O no hydrogen 3.095 N/A VAL 165.A N THR 161.A O no hydrogen 2.909 N/A ALA 166.A N GLN 162.A O no hydrogen 3.019 N/A SER 167.A N TRP 163.A O no hydrogen 3.278 N/A SER 167.A N TRP 164.A O no hydrogen 3.014 N/A SER 167.A OG TRP 164.A O no hydrogen 2.615 N/A LEU 168.A N VAL 165.A O no hydrogen 3.104 N/A ASN 169.A N ALA 166.A O no hydrogen 3.082 N/A ASN 169.A ND2 GLN 242.A O no hydrogen 3.044 N/A HIS 172.A N GLU 138.A OE2 no hydrogen 2.702 N/A HIS 172.A ND1 GLU 138.A OE1 no hydrogen 2.391 N/A LEU 173.A N PRO 170.A O no hydrogen 2.986 N/A LYS 174.A N ILE 150.A O no hydrogen 2.918 N/A LYS 174.A NZ PRO 171.A O no hydrogen 2.455 N/A ILE 176.A N GLN 162.A OE1 no hydrogen 3.081 N/A TRP 178.A N GLY 154.A O no hydrogen 3.127 N/A GLU 179.A N CYS 250.A O no hydrogen 2.936 N/A LEU 181.A N HIS 259.A ND1 no hydrogen 3.144 N/A ASN 182.A N GLU 186.A OE1 no hydrogen 3.034 N/A ASN 182.A ND2 GLY 262.A O no hydrogen 2.731 N/A ASP 183.A N GLU 186.A OE1 no hydrogen 3.144 N/A TYR 184.A OH PRO 227.A O no hydrogen 2.759 N/A ARG 185.A N ASP 183.A OD1 no hydrogen 3.390 N/A ARG 185.A NH1 ASP 183.A OD2 no hydrogen 3.103 N/A ARG 185.A NH2 HIS 459.A O no hydrogen 2.799 N/A PHE 189.A N TYR 184.A O no hydrogen 3.293 N/A HIS 190.A N ILE 193.A O no hydrogen 2.981 N/A HIS 190.A ND1 HIS 515.A NE2 no hydrogen 2.812 N/A HIS 190.A NE2 GLY 257.A O no hydrogen 3.031 N/A ILE 193.A N HIS 190.A O no hydrogen 3.079 N/A ASP 195.A N ALA 188.A O no hydrogen 2.909 N/A THR 196.A N GLU 514.A O no hydrogen 2.693 N/A GLY 197.A N ASP 195.A OD1 no hydrogen 2.745 N/A PHE 198.A N ARG 512.A O no hydrogen 2.807 N/A TYR 199.A N ASP 195.A OD2 no hydrogen 3.247 N/A TYR 199.A OH LEU 219.A O no hydrogen 2.844 N/A ARG 200.A N GLY 197.A O no hydrogen 2.806 N/A ARG 200.A NE GLN 223.A OE1 no hydrogen 2.995 N/A ARG 200.A NH1 GLU 517.A OE2 no hydrogen 3.107 N/A ARG 200.A NH2 GLN 223.A OE1 no hydrogen 3.036 N/A ARG 200.A NH2 GLU 517.A OE1 no hydrogen 3.322 N/A ARG 200.A NH2 GLU 517.A OE2 no hydrogen 3.047 N/A PHE 201.A N GLY 197.A O no hydrogen 3.022 N/A TRP 202.A N PHE 198.A O no hydrogen 2.691 N/A TRP 202.A NE1 TYR 69.A OH no hydrogen 2.792 N/A THR 203.A N TYR 199.A O no hydrogen 3.008 N/A GLN 204.A N ARG 200.A O no hydrogen 2.665 N/A GLY 205.A N PHE 201.A O no hydrogen 2.781 N/A ILE 206.A N TRP 202.A O no hydrogen 3.143 N/A PHE 207.A N THR 203.A O no hydrogen 3.255 N/A ALA 208.A N GLN 204.A O no hydrogen 3.007 N/A ARG 209.A N GLY 205.A O no hydrogen 3.178 N/A ARG 209.A N ILE 206.A O no hydrogen 3.285 N/A ARG 209.A NE TYR 69.A O no hydrogen 3.121 N/A ARG 209.A NH1 ARG 209.A O no hydrogen 3.375 N/A ARG 209.A NH2 ASN 73.A OD1 no hydrogen 3.153 N/A TRP 210.A NE1 THR 68.A O no hydrogen 2.744 N/A ASN 213.A N TRP 210.A O no hydrogen 3.052 N/A ASN 213.A ND2 GLY 114.A O no hydrogen 2.989 N/A ASN 213.A ND2 GLY 120.A O no hydrogen 3.170 N/A ASN 215.A N ASN 213.A OD1 no hydrogen 2.870 N/A ASN 215.A ND2 LYS 119.A O no hydrogen 2.825 N/A GLU 217.A N LEU 122.A O no hydrogen 2.896 N/A GLN 221.A N ASP 218.A OD1 no hydrogen 2.989 N/A GLN 221.A NE2 GLU 225.A OE1 no hydrogen 3.555 N/A ALA 222.A N ASP 218.A O no hydrogen 3.103 N/A GLN 223.A N LEU 219.A O no hydrogen 3.017 N/A GLN 223.A NE2 ALA 188.A O no hydrogen 2.867 N/A GLN 223.A NE2 ASP 195.A O no hydrogen 2.944 N/A GLN 224.A N ILE 220.A O no hydrogen 3.223 N/A GLU 225.A N GLN 221.A O no hydrogen 2.826 N/A GLU 225.A N ALA 222.A O no hydrogen 3.172 N/A HIS 226.A N ALA 222.A O no hydrogen 2.879 N/A HIS 226.A ND1 ASP 230.A OD2 no hydrogen 2.567 N/A PHE 229.A N HIS 461.A O no hydrogen 2.908 N/A ASP 230.A N LEU 228.A O no hydrogen 2.766 N/A PHE 232.A N ASP 230.A OD1 no hydrogen 2.977 N/A TRP 233.A N ASP 230.A OD1 no hydrogen 3.452 N/A TRP 233.A NE1 HIS 226.A O no hydrogen 2.714 N/A LYS 234.A N ASP 230.A O no hydrogen 2.790 N/A LYS 234.A NZ PHE 229.A O no hydrogen 2.840 N/A LYS 234.A NZ GLU 462.A OE2 no hydrogen 2.856 N/A GLN 235.A N.A PHE 232.A O no hydrogen 3.377 N/A GLN 235.A NE2.A ASP 231.A O no hydrogen 3.498 N/A ARG 236.A N TRP 233.A O no hydrogen 2.893 N/A ARG 236.A NE PRO 124.A O no hydrogen 3.324 N/A ARG 236.A NE TRP 125.A O no hydrogen 3.165 N/A ARG 236.A NH1 PRO 124.A O no hydrogen 2.997 N/A ARG 236.A NH1 GLU 217.A OE1 no hydrogen 2.623 N/A ARG 236.A NH2 GLU 217.A OE2 no hydrogen 2.971 N/A GLN 237.A NE2 ASP 183.A OD2 no hydrogen 2.937 N/A VAL 238.A N ASN 182.A O no hydrogen 2.746 N/A GLN 242.A N PRO 239.A O no hydrogen 3.132 N/A GLN 242.A NE2 SER 167.A O no hydrogen 2.770 N/A ILE 243.A N LEU 240.A O no hydrogen 2.907 N/A LYS 244.A NZ GLN 242.A O no hydrogen 2.970 N/A LEU 247.A N GLU 274.A O no hydrogen 2.937 N/A THR 249.A N TRP 276.A O no hydrogen 2.761 N/A CYS 250.A N PRO 177.A O no hydrogen 3.384 N/A CYS 250.A SG ALA 251.A O no hydrogen 3.382 N/A CYS 250.A SG TYR 278.A O no hydrogen 3.541 N/A ALA 251.A N TYR 278.A O no hydrogen 3.000 N/A SER 252.A OG HIS 280.A O no hydrogen 2.957 N/A TRP 253.A N HIS 280.A O no hydrogen 2.993 N/A TRP 253.A NE1 GLU 321.A O no hydrogen 2.795 N/A SER 254.A N SER 252.A OG no hydrogen 3.280 N/A SER 254.A OG ARG 282.A O no hydrogen 2.821 N/A THR 255.A OG1 GLU 179.A OE1 no hydrogen 2.628 N/A GLN 256.A NE2 TRP 253.A O no hydrogen 3.262 N/A GLN 256.A NE2 VAL 435.A O no hydrogen 3.052 N/A LEU 258.A N THR 255.A O no hydrogen 2.997 N/A HIS 259.A NE2 SER 156.A OG no hydrogen 2.752 N/A ASN 260.A N THR 255.A O no hydrogen 3.326 N/A ASN 260.A ND2 SER 252.A O no hydrogen 2.621 N/A ASN 260.A ND2 PRO 481.A O no hydrogen 3.374 N/A ARG 261.A NE GLU 478.A OE1 no hydrogen 3.367 N/A ARG 261.A NE GLU 478.A OE2 no hydrogen 2.941 N/A ARG 261.A NH1 GLU 186.A OE2 no hydrogen 3.083 N/A SER 263.A N HIS 259.A O no hydrogen 3.007 N/A SER 263.A OG HIS 259.A O no hydrogen 2.629 N/A GLU 265.A N ARG 261.A O no hydrogen 3.048 N/A GLY 266.A N GLY 262.A O no hydrogen 2.648 N/A PHE 267.A N SER 263.A O no hydrogen 3.082 N/A LYS 268.A N PHE 264.A O no hydrogen 2.789 N/A LYS 268.A NZ GLU 265.A OE2 no hydrogen 2.714 N/A GLN 269.A N GLU 265.A O no hydrogen 2.748 N/A GLN 269.A NE2 GLU 265.A OE1 no hydrogen 2.683 N/A SER 272.A OG THR 245.A O no hydrogen 2.475 N/A LYS 275.A NZ PHE 267.A O no hydrogen 2.723 N/A LYS 275.A NZ ALA 270.A O no hydrogen 3.137 N/A TRP 276.A N LEU 247.A O no hydrogen 2.735 N/A TRP 276.A NE1 THR 315.A O no hydrogen 2.726 N/A LEU 277.A N HIS 317.A O no hydrogen 2.596 N/A TYR 278.A N THR 249.A O no hydrogen 2.847 N/A VAL 279.A N ILE 319.A O no hydrogen 2.877 N/A HIS 280.A N ALA 251.A O no hydrogen 3.411 N/A GLY 281.A N GLU 321.A OE1 no hydrogen 2.726 N/A ARG 282.A N HIS 280.A ND1 no hydrogen 2.996 N/A ARG 282.A NE GLU 321.A OE1 no hydrogen 3.127 N/A ARG 282.A NE GLU 321.A OE2 no hydrogen 3.256 N/A ARG 282.A NH2 GLU 321.A OE2 no hydrogen 2.657 N/A LYS 283.A N TYR 327.A OH no hydrogen 3.013 N/A LYS 283.A NZ THR 80.A O no hydrogen 2.772 N/A LYS 283.A NZ GLU 431.A OE2 no hydrogen 2.665 N/A SER 287.A N LYS 283.A O no hydrogen 2.935 N/A SER 287.A N GLU 284.A O no hydrogen 3.297 N/A SER 287.A OG LYS 283.A O no hydrogen 2.740 N/A TYR 288.A N GLU 284.A O no hydrogen 3.295 N/A TYR 288.A OH ASN 153.A OD1 no hydrogen 2.671 N/A TYR 289.A N TRP 285.A O no hydrogen 3.250 N/A TYR 289.A OH SER 94.A O no hydrogen 2.699 N/A ARG 291.A NE.B GLU 295.A OE2 no hydrogen 2.977 N/A ARG 291.A NH1.A GLU 295.A OE2 no hydrogen 3.212 N/A ARG 291.A NH2.B GLU 295.A OE2 no hydrogen 3.481 N/A ASN 293.A N ALA 290.A O no hydrogen 2.994 N/A ASN 293.A ND2 SER 287.A O no hydrogen 2.624 N/A LEU 294.A N ALA 290.A O no hydrogen 3.017 N/A GLU 295.A N ARG 291.A O.A no hydrogen 2.857 N/A GLU 295.A N ARG 291.A O.B no hydrogen 2.895 N/A ARG 296.A N GLU 292.A O no hydrogen 3.037 N/A ARG 296.A NE ASN 293.A OD1 no hydrogen 3.152 N/A ARG 296.A NH2 ASN 293.A OD1 no hydrogen 2.827 N/A GLN 297.A N ASN 293.A O no hydrogen 2.999 N/A GLN 297.A NE2 TYR 288.A O no hydrogen 3.057 N/A GLN 297.A NE2 ASN 293.A O no hydrogen 3.213 N/A LYS 298.A N LEU 294.A O no hydrogen 2.869 N/A LYS 298.A NZ ASP 302.A OD2 no hydrogen 2.916 N/A SER 299.A N GLU 295.A O no hydrogen 2.819 N/A PHE 300.A N ARG 296.A O no hydrogen 3.072 N/A PHE 301.A N GLN 297.A O no hydrogen 2.818 N/A ASP 302.A N LYS 298.A O no hydrogen 2.636 N/A PHE 303.A N SER 299.A O no hydrogen 3.220 N/A PHE 303.A N PHE 300.A O no hydrogen 3.131 N/A TYR 304.A N PHE 300.A O no hydrogen 3.062 N/A TYR 304.A OH GLU 274.A OE2 no hydrogen 2.574 N/A LEU 305.A N PHE 301.A O no hydrogen 2.707 N/A LYS 306.A N PHE 301.A O no hydrogen 3.349 N/A LYS 306.A NZ ASN 103.A O no hydrogen 2.808 N/A GLU 308.A N ASP 302.A O no hydrogen 2.972 N/A ASN 310.A N GLU 308.A O no hydrogen 3.014 N/A ASN 310.A ND2 SER 299.A O no hydrogen 2.834 N/A TRP 312.A N ASN 310.A OD1 no hydrogen 2.902 N/A LYS 313.A NZ GLU 274.A OE2 no hydrogen 2.448 N/A ASP 314.A N ASP 311.A O no hydrogen 2.951 N/A THR 315.A N TRP 312.A O no hydrogen 2.848 N/A THR 315.A OG1 TRP 312.A O no hydrogen 2.674 N/A HIS 317.A ND1 LYS 275.A O no hydrogen 2.844 N/A VAL 318.A N ALA 334.A O no hydrogen 2.961 N/A ILE 319.A N LEU 277.A O no hydrogen 2.892 N/A TYR 320.A N LYS 332.A O no hydrogen 2.764 N/A GLU 321.A N VAL 279.A O no hydrogen 3.045 N/A VAL 322.A N GLU 330.A O no hydrogen 2.701 N/A ARG 323.A N GLY 483.A O no hydrogen 2.985 N/A ARG 323.A NE GLY 483.A O no hydrogen 3.020 N/A ARG 323.A NH2 VAL 435.A O no hydrogen 2.874 N/A ARG 323.A NH2 THR 484.A OG1 no hydrogen 3.014 N/A ASP 324.A N LYS 328.A O no hydrogen 2.837 N/A GLN 325.A N LYS 328.A O no hydrogen 3.090 N/A TYR 327.A OH GLU 286.A OE2 no hydrogen 2.471 N/A LYS 328.A N GLN 325.A O no hydrogen 3.143 N/A GLU 330.A N VAL 322.A O no hydrogen 3.054 N/A LYS 332.A N TYR 320.A O no hydrogen 2.761 N/A LYS 332.A NZ GLU 330.A OE2 no hydrogen 3.058 N/A LYS 332.A NZ GLU 389.A OE1 no hydrogen 3.476 N/A LYS 332.A NZ GLU 389.A OE2 no hydrogen 3.138 N/A ALA 334.A N VAL 318.A O no hydrogen 2.949 N/A ALA 342.A N LEU 339.A O no hydrogen 3.069 N/A GLU 343.A N ILE 538.A O no hydrogen 2.638 N/A THR 345.A N ILE 536.A O no hydrogen 2.782 N/A THR 345.A OG1 GLU 343.A O no hydrogen 2.964 N/A LEU 347.A N LEU 534.A O no hydrogen 2.679 N/A TYR 348.A N ASN 357.A O no hydrogen 2.770 N/A LEU 349.A N SER 532.A O no hydrogen 3.176 N/A ASN 350.A N THR 355.A O no hydrogen 3.100 N/A ASN 350.A ND2 ASN 353.A OD1 no hydrogen 2.844 N/A ALA 351.A N THR 526.A OG1 no hydrogen 2.750 N/A HIS 354.A N ASN 350.A O no hydrogen 2.682 N/A HIS 354.A ND1 SER 379.A O no hydrogen 3.164 N/A THR 355.A OG1 ASN 353.A OD1 no hydrogen 2.376 N/A LEU 356.A N LYS 381.A O no hydrogen 3.031 N/A ASN 357.A ND2 TYR 348.A O no hydrogen 3.215 N/A ASN 357.A ND2 THR 355.A OG1 no hydrogen 2.820 N/A HIS 358.A NE2 TYR 382.A OH no hydrogen 2.369 N/A HIS 365.A N THR 526.A O no hydrogen 2.812 N/A ALA 367.A N ILE 524.A O no hydrogen 2.772 N/A TYR 369.A N HIS 523.A O no hydrogen 3.155 N/A TYR 369.A OH HIS 523.A ND1 no hydrogen 2.910 N/A ASP 370.A N GLN 376.A OE1 no hydrogen 3.054 N/A SER 371.A N GLY 522.A O no hydrogen 3.165 N/A SER 371.A OG GLY 522.A O no hydrogen 2.748 N/A GLU 372.A N ASP 370.A OD1 no hydrogen 3.341 N/A ASP 373.A N ASP 370.A O no hydrogen 3.320 N/A GLN 375.A N ASP 373.A OD1 no hydrogen 3.068 N/A GLN 376.A N ASP 373.A O no hydrogen 3.124 N/A GLN 376.A NE2 ASP 373.A OD2 no hydrogen 3.452 N/A VAL 378.A N VAL 496.A O no hydrogen 3.092 N/A SER 379.A OG GLU 493.A OE2 no hydrogen 2.694 N/A SER 379.A OG VAL 494.A O no hydrogen 3.534 N/A PHE 380.A N VAL 494.A O no hydrogen 2.910 N/A LYS 381.A N HIS 354.A O no hydrogen 3.200 N/A TYR 382.A N LEU 492.A O no hydrogen 2.870 N/A TYR 382.A OH HIS 358.A NE2 no hydrogen 2.369 N/A THR 383.A OG1 THR 491.A OG1 no hydrogen 2.745 N/A PHE 384.A N GLU 490.A O no hydrogen 2.953 N/A THR 388.A N PHE 486.A O no hydrogen 2.721 N/A THR 388.A OG1 LYS 386.A O no hydrogen 2.813 N/A LEU 390.A N THR 484.A O no hydrogen 2.872 N/A VAL 391.A N PRO 537.A O no hydrogen 3.038 N/A GLY 392.A N SER 482.A O no hydrogen 2.926 N/A ASN 394.A ND2 ILE 454.A O no hydrogen 3.118 N/A ASN 394.A ND2 GLU 476.A OE1 no hydrogen 2.892 N/A LEU 395.A N ILE 477.A O no hydrogen 3.003 N/A LYS 396.A N GLN 533.A O no hydrogen 2.730 N/A LYS 396.A NZ ASP 531.A OD1 no hydrogen 3.218 N/A LEU 397.A N VAL 475.A O no hydrogen 2.862 N/A TRP 398.A N SER 532.A OG no hydrogen 2.999 N/A TRP 398.A NE1 ASP 531.A OD1 no hydrogen 2.853 N/A VAL 399.A N VAL 473.A O no hydrogen 2.929 N/A SER 400.A OG TYR 525.A OH no hydrogen 2.619 N/A THR 401.A OG1 LYS 521.A O no hydrogen 3.516 N/A SER 404.A OG ASP 406.A O no hydrogen 3.090 N/A SER 404.A OG VAL 519.A O no hydrogen 3.172 N/A ASP 406.A N SER 404.A OG no hydrogen 2.841 N/A LEU 408.A N LEU 440.A O no hydrogen 3.057 N/A PHE 409.A N LYS 497.A O no hydrogen 2.997 N/A ALA 410.A N GLY 438.A O no hydrogen 2.805 N/A GLY 411.A N VAL 495.A O no hydrogen 2.989 N/A ILE 412.A N ALA 436.A O no hydrogen 2.842 N/A LYS 413.A N GLU 493.A O no hydrogen 2.978 N/A LYS 413.A NZ GLU 421.A OE1 no hydrogen 3.420 N/A LYS 413.A NZ GLU 421.A OE2 no hydrogen 2.829 N/A LYS 413.A NZ GLN 434.A OE1 no hydrogen 2.929 N/A LYS 414.A NZ ASP 324.A O no hydrogen 2.739 N/A LYS 414.A NZ LEU 485.A O no hydrogen 2.970 N/A LYS 414.A NZ GLU 490.A OE1 no hydrogen 2.861 N/A LEU 415.A N THR 491.A O no hydrogen 2.950 N/A ASP 416.A N ASN 420.A O no hydrogen 2.849 N/A ARG 417.A NE GLN 488.A O no hydrogen 3.068 N/A ARG 417.A NH2 GLN 488.A O no hydrogen 2.990 N/A ARG 418.A N ASP 416.A OD1 no hydrogen 2.850 N/A GLY 419.A N ASP 416.A O no hydrogen 2.777 N/A ASN 420.A N ASP 416.A OD1 no hydrogen 2.990 N/A VAL 422.A N LYS 414.A O no hydrogen 2.727 N/A ASN 423.A ND2 GLY 433.A O no hydrogen 2.858 N/A PHE 424.A N GLY 433.A O no hydrogen 3.141 N/A ASP 426.A N ILE 430.A O no hydrogen 2.964 N/A PHE 427.A N ASP 426.A OD1 no hydrogen 2.740 N/A ASN 428.A ND2 THR 511.A O no hydrogen 3.177 N/A HIS 429.A ND1 ASN 428.A OD1 no hydrogen 2.931 N/A ILE 430.A N ASP 426.A O no hydrogen 2.855 N/A GLY 433.A N PHE 424.A O no hydrogen 2.862 N/A GLN 434.A N ASP 426.A OD2 no hydrogen 3.200 N/A GLN 434.A NE2 THR 437.A OG1 no hydrogen 2.975 N/A VAL 435.A N ILE 412.A O no hydrogen 2.785 N/A ALA 436.A N ILE 412.A O no hydrogen 3.267 N/A THR 437.A N GLN 256.A OE1 no hydrogen 2.717 N/A GLY 438.A N ALA 410.A O no hydrogen 3.071 N/A TRP 439.A NE1 GLU 500.A OE1 no hydrogen 2.939 N/A LEU 440.A N LEU 408.A O no hydrogen 2.979 N/A ARG 441.A N GLY 191.A O no hydrogen 2.771 N/A ARG 441.A NE ASP 407.A OD1 no hydrogen 2.707 N/A ARG 441.A NH2 ASP 407.A OD1 no hydrogen 3.536 N/A ARG 441.A NH2 ASP 407.A OD2 no hydrogen 2.903 N/A ARG 441.A NH2 GLU 517.A O no hydrogen 3.263 N/A SER 443.A N ASP 406.A OD1 no hydrogen 3.019 N/A SER 443.A OG ASP 406.A OD1 no hydrogen 3.496 N/A SER 443.A OG ASP 406.A OD2 no hydrogen 2.548 N/A HIS 444.A N ARG 441.A O no hydrogen 2.758 N/A HIS 444.A ND1 HIS 461.A ND1 no hydrogen 2.984 N/A HIS 444.A NE2 GLU 464.A OE2 no hydrogen 2.829 N/A ARG 445.A N VAL 442.A O no hydrogen 2.964 N/A ARG 445.A NH1 VAL 442.A O no hydrogen 3.179 N/A ARG 445.A NH1 LEU 465.A O no hydrogen 2.687 N/A ASP 448.A N TRP 458.A O no hydrogen 2.711 N/A LYS 451.A N ASP 448.A OD1 no hydrogen 3.017 N/A SER 452.A N GLN 449.A O no hydrogen 3.370 N/A SER 452.A OG ASP 448.A O no hydrogen 2.700 N/A SER 453.A N GLN 456.A O no hydrogen 3.031 N/A SER 453.A OG GLN 456.A O no hydrogen 3.214 N/A GLN 456.A N SER 453.A OG no hydrogen 3.192 N/A GLN 456.A NE2 GLU 265.A OE2 no hydrogen 2.990 N/A GLN 456.A NE2 GLU 478.A OE2 no hydrogen 2.922 N/A TRP 458.A N SER 452.A OG no hydrogen 2.801 N/A LYS 460.A N GLU 446.A O no hydrogen 3.025 N/A HIS 461.A ND1 HIS 444.A ND1 no hydrogen 2.984 N/A LEU 465.A N SER 443.A O no hydrogen 2.738 N/A LYS 466.A NZ ASP 406.A OD2 no hydrogen 2.618 N/A LEU 467.A N ASP 405.A O no hydrogen 2.739 N/A SER 468.A N GLU 471.A OE1 no hydrogen 3.086 N/A SER 468.A OG GLN 469.A O no hydrogen 3.444 N/A GLU 471.A N SER 468.A O no hydrogen 2.767 N/A VAL 473.A N VAL 399.A O no hydrogen 2.742 N/A VAL 475.A N LEU 397.A O no hydrogen 2.788 N/A ILE 477.A N LEU 395.A O no hydrogen 2.722 N/A LEU 480.A N THR 437.A O no hydrogen 3.019 N/A SER 482.A N GLY 392.A O no hydrogen 3.159 N/A THR 484.A N LEU 390.A O no hydrogen 2.986 N/A LEU 485.A N ARG 323.A O no hydrogen 2.876 N/A PHE 486.A N THR 388.A O no hydrogen 2.732 N/A LYS 487.A N GLU 490.A OE1 no hydrogen 2.794 N/A GLN 488.A N ASP 387.A OD1 no hydrogen 2.798 N/A GLY 489.A N PHE 384.A O no hydrogen 2.768 N/A GLU 490.A N LYS 487.A O no hydrogen 2.954 N/A THR 491.A N LEU 415.A O no hydrogen 2.936 N/A THR 491.A OG1 THR 383.A OG1 no hydrogen 2.745 N/A LEU 492.A N TYR 382.A O no hydrogen 2.744 N/A GLU 493.A N LYS 413.A O no hydrogen 3.061 N/A VAL 494.A N PHE 380.A O no hydrogen 2.839 N/A VAL 495.A N GLY 411.A O no hydrogen 3.040 N/A VAL 496.A N VAL 378.A O no hydrogen 2.977 N/A LYS 497.A N PHE 409.A O no hydrogen 2.915 N/A LYS 497.A NZ LYS 374.A O no hydrogen 2.988 N/A LYS 497.A NZ GLU 500.A O no hydrogen 2.894 N/A SER 506.A OG THR 80.A OG1 no hydrogen 3.117 N/A SER 506.A OG ASN 428.A O no hydrogen 2.954 N/A SER 506.A OG HIS 429.A O no hydrogen 2.770 N/A THR 507.A N ASN 505.A OD1 no hydrogen 2.972 N/A THR 507.A OG1 THR 511.A OG1 no hydrogen 2.575 N/A LYS 510.A NZ THR 196.A O no hydrogen 2.550 N/A THR 511.A OG1 THR 507.A OG1 no hydrogen 2.575 N/A ARG 512.A NE PHE 427.A O no hydrogen 2.933 N/A ARG 512.A NH1 VAL 502.A O no hydrogen 2.726 N/A ARG 512.A NH1 GLY 504.A O no hydrogen 2.771 N/A ARG 512.A NH2 VAL 502.A O no hydrogen 3.229 N/A ARG 512.A NH2 TYR 513.A OH no hydrogen 3.106 N/A GLU 514.A N ASP 195.A OD1 no hydrogen 3.137 N/A HIS 515.A ND1 GLU 500.A OE2 no hydrogen 2.699 N/A HIS 515.A NE2 HIS 190.A ND1 no hydrogen 2.812 N/A GLU 516.A N THR 196.A OG1 no hydrogen 3.059 N/A THR 518.A OG1 ASP 407.A OD2 no hydrogen 3.168 N/A VAL 519.A N ASP 407.A OD2 no hydrogen 3.165 N/A ASN 520.A N THR 518.A OG1 no hydrogen 3.192 N/A ASN 520.A ND2 ASP 407.A O no hydrogen 3.073 N/A ASN 520.A ND2 GLY 498.A O no hydrogen 2.704 N/A GLY 522.A N GLU 372.A OE2 no hydrogen 3.140 N/A HIS 523.A N TYR 369.A O no hydrogen 2.867 N/A HIS 523.A ND1 TYR 369.A OH no hydrogen 2.910 N/A TYR 525.A N TRP 398.A O no hydrogen 2.795 N/A TYR 525.A OH SER 400.A OG no hydrogen 2.619 N/A THR 526.A N HIS 365.A O no hydrogen 2.788 N/A GLY 528.A N ILE 361.A O no hydrogen 2.769 N/A TYR 530.A N GLY 527.A O no hydrogen 2.963 N/A ASP 531.A N LYS 529.A O no hydrogen 2.901 N/A SER 532.A N TYR 530.A O no hydrogen 2.591 N/A SER 532.A OG TYR 525.A O no hydrogen 2.654 N/A GLN 533.A N LYS 396.A O no hydrogen 2.769 N/A GLN 533.A NE2 ASP 531.A O no hydrogen 3.018 N/A LEU 534.A N LEU 347.A O no hydrogen 2.796 N/A ILE 535.A N ASN 394.A O no hydrogen 2.853 N/A ILE 536.A N THR 345.A O no hydrogen 2.787 N/A ILE 538.A N GLU 343.A O no hydrogen 3.241 N/A VAL 539.A N GLU 389.A O no hydrogen 3.215 N/A