Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ndf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 LEU 139.A O no hydrogen 2.950 N/A ASP 4.A N ALA 1.A O no hydrogen 3.093 N/A ALA 5.A N HIS 2.A O no hydrogen 3.264 N/A LEU 6.A N GLN 3.A O no hydrogen 3.148 N/A ARG 8.A NH1 GLN 3.A O no hydrogen 2.911 N/A ARG 8.A NH1 LEU 6.A O no hydrogen 2.637 N/A SER 17.A N PRO 13.A O no hydrogen 3.177 N/A SER 17.A OG HIS 490.A ND1 no hydrogen 2.645 N/A LEU 18.A N LEU 14.A O no hydrogen 3.001 N/A ASP 19.A N GLN 15.A O no hydrogen 3.035 N/A TYR 20.A N GLN 16.A O no hydrogen 3.183 N/A TYR 21.A N SER 17.A O no hydrogen 2.933 N/A LEU 22.A N LEU 18.A O no hydrogen 2.982 N/A LYS 23.A N ASP 19.A O no hydrogen 3.088 N/A LYS 23.A NZ ASP 19.A OD2 no hydrogen 2.694 N/A ALA 24.A N TYR 20.A O no hydrogen 2.912 N/A LEU 25.A N TYR 21.A O no hydrogen 2.961 N/A LEU 25.A N LEU 22.A O no hydrogen 3.254 N/A GLN 26.A N LEU 22.A O no hydrogen 3.324 N/A ILE 28.A N LEU 25.A O no hydrogen 2.870 N/A VAL 29.A N LEU 25.A O no hydrogen 3.121 N/A SER 30.A N GLU 33.A OE1 no hydrogen 2.728 N/A GLU 33.A N SER 30.A OG no hydrogen 3.063 N/A TRP 34.A N SER 30.A O no hydrogen 2.877 N/A TRP 34.A NE1 LEU 22.A O no hydrogen 2.909 N/A ALA 35.A N GLU 31.A O no hydrogen 3.006 N/A HIS 36.A N GLU 32.A O no hydrogen 3.032 N/A THR 37.A N GLU 33.A O no hydrogen 2.906 N/A THR 37.A OG1 GLU 33.A O no hydrogen 2.948 N/A THR 37.A OG1 ASP 511.A OD1 no hydrogen 2.526 N/A THR 37.A OG1 SER 513.A OG no hydrogen 2.703 N/A LYS 38.A N TRP 34.A O no hydrogen 2.836 N/A GLN 39.A N ALA 35.A O no hydrogen 3.215 N/A LEU 40.A N HIS 36.A O no hydrogen 3.143 N/A VAL 41.A N THR 37.A O no hydrogen 2.848 N/A ASP 42.A N LYS 38.A O no hydrogen 3.035 N/A GLU 43.A N GLN 39.A O no hydrogen 3.057 N/A PHE 44.A N LEU 40.A O no hydrogen 2.724 N/A GLN 45.A N VAL 41.A O no hydrogen 3.184 N/A THR 46.A N GLU 43.A O no hydrogen 3.152 N/A GLY 48.A N GLU 52.A OE1 no hydrogen 3.077 N/A GLY 49.A N THR 46.A O no hydrogen 2.794 N/A GLY 51.A N PHE 44.A O no hydrogen 2.844 N/A ARG 53.A NH1 GLY 48.A O no hydrogen 3.317 N/A LEU 54.A N VAL 50.A O no hydrogen 3.160 N/A GLN 55.A N GLY 51.A O no hydrogen 2.767 N/A GLN 55.A NE2 HIS 490.A NE2 no hydrogen 2.871 N/A LYS 56.A N GLU 52.A O no hydrogen 2.983 N/A LYS 56.A NZ GLU 59.A OE1 no hydrogen 3.395 N/A GLY 57.A N ARG 53.A O no hydrogen 3.130 N/A LEU 58.A N LEU 54.A O no hydrogen 3.020 N/A GLU 59.A N GLN 55.A O no hydrogen 2.961 N/A ARG 60.A N LYS 56.A O no hydrogen 2.919 N/A ARG 61.A N GLY 57.A O no hydrogen 2.931 N/A ARG 61.A NE TRP 68.A O no hydrogen 2.843 N/A ALA 62.A N LEU 58.A O no hydrogen 2.921 N/A LYS 63.A N GLU 59.A O no hydrogen 3.254 N/A LYS 64.A N ARG 60.A O no hydrogen 3.130 N/A LYS 64.A N ARG 61.A O no hydrogen 3.186 N/A ASN 67.A ND2 HIS 432.A O no hydrogen 3.025 N/A TRP 68.A NE1 PRO 10.A O no hydrogen 3.053 N/A LEU 69.A N ASN 67.A OD1 no hydrogen 2.812 N/A SER 70.A N ASN 67.A OD1 no hydrogen 3.135 N/A TRP 73.A N LEU 69.A O no hydrogen 2.807 N/A LEU 74.A N SER 70.A O no hydrogen 3.007 N/A LYS 75.A N GLU 71.A O no hydrogen 3.067 N/A THR 76.A N TRP 72.A O no hydrogen 2.891 N/A THR 76.A OG1 TRP 72.A O no hydrogen 2.937 N/A ALA 77.A N TRP 73.A O no hydrogen 2.752 N/A TYR 78.A N LEU 74.A O no hydrogen 3.137 N/A LEU 79.A N LEU 74.A O no hydrogen 3.004 N/A GLN 80.A N LYS 75.A O no hydrogen 2.783 N/A PHE 81.A N TYR 78.A O no hydrogen 2.994 N/A ARG 82.A NE ASN 228.A OD1 no hydrogen 2.749 N/A ARG 82.A NH1 GLY 155.A O no hydrogen 3.267 N/A ARG 82.A NH1 ASP 159.A OD1 no hydrogen 3.124 N/A ARG 82.A NH2 GLY 155.A O no hydrogen 2.774 N/A ARG 82.A NH2 ASN 228.A OD1 no hydrogen 2.881 N/A TYR 88.A N VAL 86.A O no hydrogen 2.653 N/A SER 89.A N VAL 85.A O no hydrogen 2.952 N/A SER 90.A N VAL 85.A O no hydrogen 2.740 N/A SER 90.A OG VAL 85.A O no hydrogen 3.515 N/A GLY 92.A N PHE 536.A O no hydrogen 2.902 N/A VAL 93.A N MET 310.A O no hydrogen 2.613 N/A ILE 94.A N VAL 534.A O no hydrogen 2.972 N/A LEU 95.A N CYS 308.A O no hydrogen 2.912 N/A LYS 97.A NZ TYR 271.A OH no hydrogen 3.300 N/A GLN 98.A N GLY 306.A O no hydrogen 2.874 N/A GLN 98.A NE2 PRO 96.A O no hydrogen 2.825 N/A GLN 104.A NE2 ASP 102.A OD1 no hydrogen 2.551 N/A GLN 104.A NE2 ASP 102.A OD2 no hydrogen 3.471 N/A GLY 105.A N ASP 102.A OD1 no hydrogen 2.728 N/A GLN 106.A N ASP 102.A O no hydrogen 2.917 N/A LEU 107.A N LEU 103.A O no hydrogen 2.938 N/A ARG 108.A N GLN 104.A O no hydrogen 2.887 N/A PHE 109.A N GLY 105.A O no hydrogen 2.738 N/A ALA 110.A N GLN 106.A O no hydrogen 2.763 N/A ALA 111.A N LEU 107.A O no hydrogen 2.773 N/A LYS 112.A N ARG 108.A O no hydrogen 2.899 N/A LYS 112.A NZ SER 197.A OG no hydrogen 2.972 N/A LYS 112.A NZ GLU 337.A OE2 no hydrogen 3.279 N/A LEU 113.A N PHE 109.A O no hydrogen 2.740 N/A ILE 114.A N ALA 110.A O no hydrogen 3.023 N/A GLU 115.A N ALA 111.A O no hydrogen 3.292 N/A GLY 116.A N LYS 112.A O no hydrogen 3.059 N/A VAL 117.A N LEU 113.A O no hydrogen 3.066 N/A LEU 118.A N ILE 114.A O no hydrogen 3.075 N/A ASP 119.A N GLU 115.A O no hydrogen 2.941 N/A PHE 120.A N GLY 116.A O no hydrogen 3.024 N/A LYS 121.A N VAL 117.A O no hydrogen 2.662 N/A LYS 121.A NZ ASP 125.A OD2 no hydrogen 2.727 N/A LYS 121.A NZ TYR 188.A OH no hydrogen 3.392 N/A SER 122.A N LEU 118.A O no hydrogen 2.924 N/A SER 122.A N ASP 119.A O no hydrogen 3.224 N/A SER 122.A OG LEU 118.A O no hydrogen 2.931 N/A SER 122.A OG ASP 119.A O no hydrogen 3.191 N/A ILE 124.A N PHE 120.A O no hydrogen 3.428 N/A ASP 125.A N LYS 121.A O no hydrogen 2.725 N/A ASN 126.A N SER 122.A O no hydrogen 2.664 N/A GLU 127.A N ILE 124.A O no hydrogen 3.091 N/A THR 128.A N MET 123.A O no hydrogen 2.682 N/A LEU 134.A N GLN 137.A O no hydrogen 3.031 N/A LEU 139.A N GLU 132.A O no hydrogen 2.894 N/A CYS 140.A N ARG 429.A O no hydrogen 2.641 N/A CYS 140.A SG GLN 3.A OE1 no hydrogen 3.047 N/A GLN 143.A NE2 GLY 434.A O no hydrogen 3.198 N/A TYR 144.A N MET 141.A O no hydrogen 3.174 N/A TYR 144.A OH GLU 132.A OE2 no hydrogen 2.576 N/A TYR 145.A N ASN 142.A O no hydrogen 2.964 N/A GLN 146.A N GLN 143.A O no hydrogen 3.322 N/A GLN 146.A NE2 ASN 142.A O no hydrogen 3.330 N/A GLN 146.A NE2 ASN 142.A OD1 no hydrogen 3.288 N/A SER 149.A N ILE 254.A O no hydrogen 2.917 N/A SER 150.A OG GLN 146.A O no hydrogen 2.721 N/A SER 150.A OG ILE 147.A O no hydrogen 3.145 N/A SER 150.A OG THR 297.A OG1 no hydrogen 2.642 N/A CYS 151.A N VAL 162.A O no hydrogen 2.948 N/A CYS 151.A SG ARG 152.A O no hydrogen 3.567 N/A ARG 152.A N ASP 295.A O no hydrogen 2.828 N/A ARG 152.A NE ASP 159.A OD2 no hydrogen 2.660 N/A ARG 152.A NH1 GLU 313.A OE2 no hydrogen 2.760 N/A ARG 152.A NH2 TYR 78.A O no hydrogen 2.933 N/A ARG 152.A NH2 ASP 159.A OD2 no hydrogen 3.253 N/A VAL 153.A N SER 160.A O no hydrogen 2.751 N/A GLY 155.A N ASP 159.A OD1 no hydrogen 2.835 N/A ASP 159.A N LEU 79.A O no hydrogen 3.006 N/A SER 160.A N VAL 153.A O no hydrogen 2.972 N/A SER 160.A OG VAL 153.A O no hydrogen 3.543 N/A VAL 162.A N CYS 151.A O no hydrogen 2.847 N/A ASN 163.A ND2 SER 149.A O no hydrogen 3.387 N/A PHE 164.A N SER 149.A O no hydrogen 2.794 N/A SER 167.A N PHE 164.A O no hydrogen 3.212 N/A SER 167.A OG PHE 164.A O no hydrogen 2.966 N/A THR 172.A OG1 ASP 186.A OD1 no hydrogen 3.168 N/A ILE 174.A N LEU 185.A O no hydrogen 2.727 N/A THR 175.A N PHE 255.A O no hydrogen 3.089 N/A THR 175.A OG1 SER 253.A OG no hydrogen 2.899 N/A THR 175.A OG1 PHE 255.A O no hydrogen 3.506 N/A THR 175.A OG1 THR 256.A OG1 no hydrogen 2.653 N/A VAL 176.A N PHE 183.A O no hydrogen 3.017 N/A VAL 177.A N VAL 257.A O no hydrogen 2.817 N/A HIS 178.A N GLN 181.A O no hydrogen 2.969 N/A ASN 179.A ND2 SER 211.A O no hydrogen 2.822 N/A TYR 180.A N ASN 291.A OD1 no hydrogen 2.926 N/A TYR 180.A OH PHE 287.A O no hydrogen 3.381 N/A GLN 181.A N HIS 178.A O no hydrogen 3.120 N/A PHE 183.A N VAL 176.A O no hydrogen 2.840 N/A GLU 184.A N LYS 350.A O no hydrogen 2.674 N/A LEU 185.A N ILE 174.A O no hydrogen 2.888 N/A VAL 187.A N THR 172.A O no hydrogen 2.816 N/A HIS 189.A N THR 193.A O no hydrogen 2.834 N/A GLY 192.A N HIS 189.A O no hydrogen 2.691 N/A THR 193.A N ASP 191.A OD1 no hydrogen 2.534 N/A THR 193.A OG1 ASP 191.A OD1 no hydrogen 2.593 N/A THR 193.A OG1 ASP 191.A OD2 no hydrogen 3.396 N/A LEU 195.A N VAL 187.A O no hydrogen 2.982 N/A SER 197.A N GLU 115.A OE2 no hydrogen 3.283 N/A SER 197.A OG GLU 115.A OE1 no hydrogen 3.093 N/A GLN 199.A N THR 196.A OG1 no hydrogen 3.287 N/A GLN 199.A NE2 THR 196.A OG1 no hydrogen 3.222 N/A ILE 200.A N THR 196.A O no hydrogen 2.752 N/A PHE 201.A N SER 197.A O no hydrogen 2.822 N/A VAL 202.A N ASP 198.A O no hydrogen 2.928 N/A GLN 203.A N GLN 199.A O no hydrogen 2.978 N/A GLN 203.A NE2 PRO 347.A O no hydrogen 2.834 N/A LEU 204.A N ILE 200.A O no hydrogen 2.735 N/A GLU 205.A N PHE 201.A O no hydrogen 2.668 N/A LYS 206.A N VAL 202.A O no hydrogen 3.222 N/A LYS 206.A NZ GLN 203.A OE1 no hydrogen 3.265 N/A ILE 207.A N GLN 203.A O no hydrogen 3.004 N/A TRP 208.A N LEU 204.A O no hydrogen 3.017 N/A ASN 209.A N GLU 205.A O no hydrogen 3.091 N/A ASN 209.A ND2 GLU 205.A O no hydrogen 3.167 N/A SER 210.A N ILE 207.A O no hydrogen 3.040 N/A SER 210.A OG LYS 206.A O no hydrogen 3.000 N/A SER 211.A N TRP 208.A O no hydrogen 3.183 N/A SER 211.A OG ILE 207.A O no hydrogen 2.689 N/A SER 211.A OG TRP 208.A O no hydrogen 3.510 N/A VAL 219.A N GLU 217.A O no hydrogen 2.814 N/A ILE 221.A N PRO 218.A O no hydrogen 3.028 N/A LEU 222.A N VAL 219.A O no hydrogen 2.963 N/A THR 223.A N GLY 220.A O no hydrogen 3.118 N/A THR 223.A OG1 GLY 220.A O no hydrogen 2.658 N/A SER 224.A N ILE 221.A O no hydrogen 3.172 N/A SER 224.A OG ILE 221.A O no hydrogen 2.532 N/A ASN 225.A N LEU 222.A O no hydrogen 3.374 N/A HIS 226.A N ASN 225.A OD1 no hydrogen 2.627 N/A ARG 227.A N ARG 82.A O no hydrogen 2.857 N/A ARG 227.A NE ASP 159.A OD2 no hydrogen 2.807 N/A ARG 227.A NH1 ASP 295.A OD1 no hydrogen 3.101 N/A ARG 227.A NH2 ASP 159.A OD2 no hydrogen 2.771 N/A ARG 227.A NH2 ASP 295.A OD1 no hydrogen 2.904 N/A TRP 230.A N HIS 226.A O no hydrogen 2.841 N/A TRP 230.A NE1 ASP 295.A OD2 no hydrogen 2.599 N/A ALA 231.A N ARG 227.A O no hydrogen 2.922 N/A LYS 232.A N ASN 228.A O no hydrogen 3.458 N/A ALA 233.A N THR 229.A O no hydrogen 2.989 N/A TYR 234.A N TRP 230.A O no hydrogen 2.728 N/A ASN 235.A N ALA 231.A O no hydrogen 3.129 N/A ASN 236.A N LYS 232.A O no hydrogen 3.206 N/A LEU 237.A N ALA 233.A O no hydrogen 2.774 N/A ILE 238.A N TYR 234.A O no hydrogen 3.038 N/A LYS 239.A N ASN 236.A O no hydrogen 2.865 N/A LYS 239.A NZ ASN 236.A OD1 no hydrogen 2.910 N/A VAL 242.A N ASP 240.A OD2 no hydrogen 3.175 N/A ASN 243.A N ASP 240.A OD2 no hydrogen 3.133 N/A ASN 243.A ND2 LEU 237.A O no hydrogen 2.972 N/A ASN 243.A ND2 ASN 355.A O no hydrogen 3.462 N/A ARG 244.A N ASP 240.A O no hydrogen 2.861 N/A ARG 244.A NH1 ILE 238.A O no hydrogen 2.688 N/A ARG 244.A NH1 LYS 239.A O no hydrogen 3.228 N/A GLU 245.A N LYS 241.A O no hydrogen 3.065 N/A SER 246.A N VAL 242.A O no hydrogen 2.982 N/A SER 246.A OG VAL 242.A O no hydrogen 3.354 N/A SER 246.A OG ARG 353.A O no hydrogen 2.662 N/A VAL 247.A N ASN 243.A O no hydrogen 2.749 N/A ASN 248.A N ARG 244.A O no hydrogen 2.928 N/A SER 249.A N GLU 245.A O no hydrogen 3.047 N/A SER 249.A OG GLU 184.A OE1 no hydrogen 2.587 N/A ILE 250.A N SER 246.A O no hydrogen 2.922 N/A GLN 251.A N VAL 247.A O no hydrogen 2.915 N/A GLN 251.A NE2 TYR 234.A OH no hydrogen 2.977 N/A LYS 252.A N ASN 248.A O no hydrogen 3.064 N/A SER 253.A N SER 249.A O no hydrogen 2.929 N/A SER 253.A OG THR 175.A OG1 no hydrogen 2.899 N/A SER 253.A OG ILE 250.A O no hydrogen 2.631 N/A ILE 254.A N HIS 173.A O no hydrogen 2.849 N/A THR 256.A N LEU 298.A O no hydrogen 3.080 N/A THR 256.A OG1 THR 175.A OG1 no hydrogen 2.653 N/A VAL 257.A N THR 175.A O no hydrogen 2.869 N/A CYS 258.A N PHE 300.A O no hydrogen 2.751 N/A CYS 258.A SG ASN 291.A O no hydrogen 3.509 N/A CYS 258.A SG PHE 300.A O no hydrogen 4.020 N/A LEU 259.A N VAL 177.A O no hydrogen 2.911 N/A ASP 260.A N VAL 302.A O no hydrogen 3.283 N/A LYS 261.A N ASN 288.A OD1 no hydrogen 2.903 N/A LYS 261.A NZ PHE 287.A O no hydrogen 2.675 N/A LYS 261.A NZ ASN 288.A OD1 no hydrogen 2.967 N/A SER 267.A OG ASP 269.A OD1 no hydrogen 2.713 N/A VAL 270.A N SER 267.A O no hydrogen 2.921 N/A TYR 271.A N ASP 268.A O no hydrogen 3.377 N/A TYR 271.A OH ASP 305.A OD2 no hydrogen 2.928 N/A TYR 271.A OH SER 307.A OG no hydrogen 2.515 N/A HIS 274.A N VAL 270.A O no hydrogen 3.117 N/A HIS 274.A ND1 VAL 270.A O no hydrogen 2.969 N/A VAL 275.A N TYR 271.A O no hydrogen 2.898 N/A ALA 276.A N ARG 272.A O no hydrogen 2.908 N/A GLY 277.A N ASN 273.A O no hydrogen 3.112 N/A GLN 278.A N HIS 274.A O no hydrogen 2.968 N/A MET 279.A N VAL 275.A O no hydrogen 3.100 N/A LEU 280.A N ALA 276.A O no hydrogen 2.898 N/A HIS 281.A N GLY 277.A O no hydrogen 2.835 N/A GLY 282.A N GLY 277.A O no hydrogen 3.043 N/A GLY 284.A N SER 289.A OG no hydrogen 2.819 N/A PHE 287.A N GLY 284.A O no hydrogen 3.175 N/A ASN 288.A N GLY 282.A O no hydrogen 3.236 N/A ASN 288.A ND2 LYS 261.A O no hydrogen 3.307 N/A SER 289.A N GLY 284.A O no hydrogen 3.355 N/A SER 289.A OG HIS 281.A O no hydrogen 2.591 N/A SER 289.A OG GLY 284.A O no hydrogen 3.245 N/A ASN 291.A N ASN 288.A O no hydrogen 2.929 N/A ASN 291.A ND2 VAL 177.A O no hydrogen 3.237 N/A ASN 291.A ND2 LEU 259.A O no hydrogen 3.391 N/A ASN 291.A ND2 ASP 260.A OD1 no hydrogen 3.264 N/A ARG 292.A NH1 ASP 260.A OD1 no hydrogen 3.178 N/A ARG 292.A NH1 ASP 260.A OD2 no hydrogen 3.468 N/A ARG 292.A NH1 ASN 291.A O no hydrogen 2.897 N/A ARG 292.A NH2 ASP 260.A OD2 no hydrogen 3.005 N/A ARG 292.A NH2 GLN 278.A O no hydrogen 2.827 N/A PHE 294.A N THR 223.A OG1 no hydrogen 2.896 N/A LYS 296.A N TRP 293.A O no hydrogen 2.909 N/A LYS 296.A NZ SER 150.A O no hydrogen 3.043 N/A LYS 296.A NZ ILE 250.A O no hydrogen 2.993 N/A LYS 296.A NZ SER 253.A O no hydrogen 2.595 N/A LYS 296.A NZ SER 253.A OG no hydrogen 3.261 N/A THR 297.A OG1 SER 150.A OG no hydrogen 2.642 N/A GLN 299.A N VAL 311.A O no hydrogen 3.263 N/A PHE 300.A N THR 256.A O no hydrogen 2.786 N/A ILE 301.A N GLY 309.A O no hydrogen 2.657 N/A VAL 302.A N CYS 258.A O no hydrogen 3.000 N/A ALA 303.A N SER 307.A O no hydrogen 2.921 N/A SER 307.A N ASP 305.A OD1 no hydrogen 2.666 N/A SER 307.A OG TYR 271.A OH no hydrogen 2.515 N/A SER 307.A OG ASP 305.A OD1 no hydrogen 2.800 N/A CYS 308.A SG PRO 96.A O no hydrogen 3.501 N/A GLY 309.A N ILE 301.A O no hydrogen 2.863 N/A MET 310.A N VAL 93.A O no hydrogen 2.963 N/A VAL 311.A N GLN 299.A O no hydrogen 3.145 N/A TYR 312.A N PRO 91.A O no hydrogen 3.148 N/A GLU 313.A N THR 297.A O no hydrogen 3.033 N/A HIS 314.A ND1 HIS 314.A O no hydrogen 2.859 N/A ALA 315.A N GLU 313.A OE1 no hydrogen 3.089 N/A ALA 315.A N GLU 313.A OE2 no hydrogen 3.482 N/A VAL 323.A N GLY 319.A O no hydrogen 2.871 N/A ALA 324.A N PRO 320.A O no hydrogen 2.945 N/A LEU 325.A N PRO 321.A O no hydrogen 3.249 N/A VAL 326.A N ILE 322.A O no hydrogen 2.908 N/A ASP 327.A N VAL 323.A O no hydrogen 2.683 N/A HIS 328.A N ALA 324.A O no hydrogen 3.204 N/A VAL 329.A N LEU 325.A O no hydrogen 2.883 N/A MET 330.A N VAL 326.A O no hydrogen 2.847 N/A GLU 331.A N ASP 327.A O no hydrogen 3.179 N/A TYR 332.A N HIS 328.A O no hydrogen 3.032 N/A THR 333.A N VAL 329.A O no hydrogen 2.840 N/A THR 333.A OG1 MET 330.A O no hydrogen 2.757 N/A LYS 334.A N GLU 331.A O no hydrogen 2.971 N/A LYS 334.A NZ MET 330.A O no hydrogen 3.300 N/A LYS 335.A N TYR 332.A O no hydrogen 3.105 N/A ARG 340.A NH1 SER 197.A OG no hydrogen 3.077 N/A LEU 346.A N VAL 344.A O no hydrogen 2.438 N/A LEU 352.A N PHE 182.A O no hydrogen 2.929 N/A ASN 355.A N ASN 243.A OD1 no hydrogen 2.760 N/A ASN 355.A ND2 ASP 240.A OD2 no hydrogen 2.737 N/A ILE 360.A N THR 357.A OG1 no hydrogen 3.243 N/A LYS 361.A N THR 357.A O no hydrogen 2.771 N/A ASN 362.A N PRO 358.A O no hydrogen 3.065 N/A ASP 363.A N GLU 359.A O no hydrogen 3.091 N/A ILE 364.A N ILE 360.A O no hydrogen 2.989 N/A GLU 365.A N LYS 361.A O no hydrogen 3.049 N/A LYS 366.A N ASN 362.A O no hydrogen 2.925 N/A ALA 367.A N ASP 363.A O no hydrogen 2.857 N/A LYS 368.A N ILE 364.A O no hydrogen 3.008 N/A LYS 368.A NZ GLU 365.A OE1 no hydrogen 3.291 N/A GLN 369.A N GLU 365.A O no hydrogen 3.173 N/A ASN 370.A N LYS 366.A O no hydrogen 3.098 N/A LEU 371.A N ALA 367.A O no hydrogen 2.927 N/A SER 372.A N LYS 368.A O no hydrogen 2.931 N/A ILE 373.A N GLN 369.A O no hydrogen 3.206 N/A MET 374.A N ASN 370.A O no hydrogen 3.142 N/A ILE 375.A N LEU 371.A O no hydrogen 2.911 N/A GLN 376.A N SER 372.A O no hydrogen 3.140 N/A GLN 376.A NE2 SER 372.A O no hydrogen 3.227 N/A GLN 376.A NE2 SER 372.A OG no hydrogen 2.994 N/A ASP 377.A N ILE 373.A O no hydrogen 3.207 N/A ASP 377.A N MET 374.A O no hydrogen 3.066 N/A LEU 378.A N ILE 375.A O no hydrogen 3.186 N/A ASP 379.A N ALA 562.A O no hydrogen 2.778 N/A MET 381.A N VAL 560.A O no hydrogen 2.718 N/A MET 382.A N ASN 273.A OD1 no hydrogen 2.827 N/A LEU 383.A N PHE 558.A O no hydrogen 2.828 N/A PHE 385.A N ILE 556.A O no hydrogen 2.810 N/A HIS 387.A NE2 GLU 579.A OE2 no hydrogen 2.868 N/A GLY 389.A N ASP 391.A OD1 no hydrogen 2.935 N/A LYS 390.A N MET 552.A O no hydrogen 2.872 N/A ASP 391.A N GLU 553.A O no hydrogen 2.957 N/A PHE 392.A N ASP 391.A OD1 no hydrogen 2.628 N/A LYS 394.A N LYS 390.A O no hydrogen 3.057 N/A LYS 394.A NZ GLU 553.A OE1 no hydrogen 2.869 N/A SER 395.A N ASP 391.A O no hydrogen 3.037 N/A SER 395.A OG PHE 392.A O no hydrogen 2.553 N/A GLU 396.A N PRO 393.A O no hydrogen 2.996 N/A LYS 397.A N LYS 394.A O no hydrogen 2.945 N/A LEU 398.A N PRO 393.A O no hydrogen 2.806 N/A ALA 402.A N SER 399.A OG no hydrogen 3.236 N/A PHE 403.A N SER 399.A O no hydrogen 2.847 N/A ILE 404.A N PRO 400.A O no hydrogen 2.901 N/A GLN 405.A N ASP 401.A O no hydrogen 2.931 N/A GLN 405.A NE2 THR 524.A OG1 no hydrogen 3.033 N/A GLN 405.A NE2 TYR 549.A OH no hydrogen 2.812 N/A VAL 406.A N ALA 402.A O no hydrogen 2.974 N/A ALA 407.A N PHE 403.A O no hydrogen 3.027 N/A LEU 408.A N ILE 404.A O no hydrogen 3.024 N/A GLN 409.A N GLN 405.A O no hydrogen 3.090 N/A GLN 409.A NE2 THR 422.A OG1 no hydrogen 2.959 N/A LEU 410.A N VAL 406.A O no hydrogen 2.985 N/A ALA 411.A N ALA 407.A O no hydrogen 2.842 N/A TYR 412.A N LEU 408.A O no hydrogen 2.903 N/A TYR 413.A N GLN 409.A O no hydrogen 2.989 N/A ARG 414.A N LEU 410.A O no hydrogen 2.962 N/A ARG 414.A NH1 ASP 584.A OD2 no hydrogen 2.808 N/A ARG 414.A NH2 ASP 584.A OD2 no hydrogen 3.015 N/A ILE 415.A N ALA 411.A O no hydrogen 3.180 N/A ILE 415.A N TYR 412.A O no hydrogen 3.166 N/A TYR 416.A N TYR 412.A O no hydrogen 2.892 N/A TYR 416.A OH TYR 545.A OH no hydrogen 2.528 N/A TYR 416.A OH GLU 568.A O no hydrogen 2.756 N/A GLY 417.A N TYR 413.A O no hydrogen 2.770 N/A CYS 420.A SG ALA 421.A O no hydrogen 3.672 N/A THR 422.A OG1 CYS 420.A O no hydrogen 3.010 N/A TYR 423.A N LEU 522.A O no hydrogen 2.871 N/A GLU 424.A N ILE 439.A O no hydrogen 3.006 N/A SER 425.A N THR 524.A O no hydrogen 3.122 N/A ALA 426.A N ASP 437.A O no hydrogen 3.074 N/A LEU 428.A N ARG 435.A O no hydrogen 3.006 N/A ARG 429.A N SER 427.A OG no hydrogen 3.393 N/A ARG 429.A NE CYS 140.A O no hydrogen 2.964 N/A ARG 429.A NH2 GLU 132.A OE2 no hydrogen 3.172 N/A ARG 429.A NH2 CYS 140.A O no hydrogen 3.252 N/A PHE 431.A N LEU 428.A O no hydrogen 3.029 N/A HIS 432.A N PRO 7.A O no hydrogen 2.975 N/A GLY 434.A N PHE 431.A O no hydrogen 2.925 N/A ARG 435.A NE GLU 318.A OE2 no hydrogen 2.563 N/A ARG 435.A NH1 ALA 315.A O no hydrogen 3.525 N/A ARG 435.A NH2 HIS 314.A O no hydrogen 3.277 N/A ARG 435.A NH2 ALA 317.A O no hydrogen 3.490 N/A ARG 435.A NH2 GLU 318.A OE2 no hydrogen 2.744 N/A ASP 437.A N ALA 426.A O no hydrogen 2.974 N/A THR 438.A N ASP 437.A OD1 no hydrogen 2.722 N/A ILE 439.A N GLU 424.A O no hydrogen 2.949 N/A ARG 440.A NE ASP 488.A OD1 no hydrogen 2.777 N/A ARG 440.A NE ASP 488.A OD2 no hydrogen 3.321 N/A ARG 440.A NH1 ALA 517.A O no hydrogen 2.758 N/A ARG 440.A NH2 ASP 488.A OD2 no hydrogen 2.758 N/A ARG 440.A NH2 ALA 517.A O no hydrogen 2.855 N/A SER 441.A OG GLN 405.A OE1 no hydrogen 2.522 N/A SER 441.A OG HIS 474.A NE2 no hydrogen 3.218 N/A SER 443.A N SER 446.A OG no hydrogen 2.780 N/A SER 443.A OG SER 446.A OG no hydrogen 3.327 N/A SER 446.A N SER 443.A OG no hydrogen 2.957 N/A SER 446.A OG SER 441.A O no hydrogen 3.260 N/A SER 446.A OG SER 443.A O no hydrogen 3.135 N/A SER 446.A OG SER 443.A OG no hydrogen 3.327 N/A LEU 447.A N SER 443.A O no hydrogen 2.924 N/A ALA 448.A N ILE 444.A O no hydrogen 3.064 N/A PHE 449.A N ASP 445.A O no hydrogen 3.112 N/A VAL 450.A N SER 446.A O no hydrogen 2.948 N/A LYS 451.A N LEU 447.A O no hydrogen 3.047 N/A GLY 452.A N ALA 448.A O no hydrogen 2.976 N/A MET 453.A N PHE 449.A O no hydrogen 2.730 N/A GLY 454.A N LYS 451.A O no hydrogen 3.295 N/A ASP 455.A N GLY 452.A O no hydrogen 3.283 N/A THR 457.A N ASP 455.A OD1 no hydrogen 2.778 N/A THR 457.A OG1 ASP 455.A OD1 no hydrogen 2.580 N/A VAL 458.A N ASP 455.A O no hydrogen 3.009 N/A GLN 461.A N GLN 461.A OE1 no hydrogen 2.850 N/A GLN 462.A N PRO 459.A O no hydrogen 2.791 N/A LYS 463.A N PRO 459.A O no hydrogen 2.929 N/A LYS 463.A NZ GLY 452.A O no hydrogen 2.839 N/A LYS 463.A NZ MET 453.A O no hydrogen 3.362 N/A LYS 463.A NZ ASP 455.A O no hydrogen 2.785 N/A LYS 463.A NZ VAL 458.A O no hydrogen 2.897 N/A VAL 464.A N GLU 460.A O no hydrogen 3.028 N/A LEU 466.A N GLN 462.A O no hydrogen 3.073 N/A LEU 467.A N LYS 463.A O no hydrogen 2.875 N/A ARG 468.A N VAL 464.A O no hydrogen 2.885 N/A ARG 468.A NH2 HIS 592.A O no hydrogen 2.758 N/A LYS 469.A N GLU 465.A O no hydrogen 2.929 N/A ALA 470.A N LEU 466.A O no hydrogen 3.018 N/A VAL 471.A N LEU 467.A O no hydrogen 3.028 N/A GLN 472.A N ARG 468.A O no hydrogen 2.988 N/A ALA 473.A N LYS 469.A O no hydrogen 3.009 N/A HIS 474.A N ALA 470.A O no hydrogen 3.087 N/A HIS 474.A NE2 SER 441.A OG no hydrogen 3.218 N/A ARG 475.A N VAL 471.A O no hydrogen 2.926 N/A ALA 476.A N GLN 472.A O no hydrogen 2.878 N/A TYR 477.A N ALA 473.A O no hydrogen 2.930 N/A THR 478.A N HIS 474.A O no hydrogen 2.870 N/A THR 478.A OG1 HIS 474.A O no hydrogen 2.893 N/A ASP 479.A N ARG 475.A O no hydrogen 2.942 N/A ARG 480.A N ALA 476.A O no hydrogen 2.986 N/A ALA 481.A N TYR 477.A O no hydrogen 2.854 N/A ILE 482.A N THR 478.A O no hydrogen 3.078 N/A ARG 483.A N ARG 480.A O no hydrogen 3.063 N/A ARG 483.A NH1 ASP 479.A O no hydrogen 2.854 N/A GLY 484.A N ALA 481.A O no hydrogen 3.176 N/A GLU 485.A N ARG 480.A O no hydrogen 2.824 N/A ARG 489.A N ASP 437.A OD1 no hydrogen 3.239 N/A ARG 489.A NH1 THR 438.A OG1 no hydrogen 2.862 N/A ARG 489.A NH2 TYR 423.A OH no hydrogen 2.832 N/A ARG 489.A NH2 THR 436.A OG1 no hydrogen 3.004 N/A HIS 490.A ND1 SER 17.A OG no hydrogen 2.645 N/A LEU 491.A N PHE 487.A O no hydrogen 2.850 N/A LEU 492.A N ASP 488.A O no hydrogen 3.069 N/A GLY 493.A N ARG 489.A O no hydrogen 2.771 N/A LEU 494.A N HIS 490.A O no hydrogen 2.895 N/A LYS 495.A N LEU 491.A O no hydrogen 3.005 N/A LEU 496.A N LEU 492.A O no hydrogen 2.925 N/A GLN 497.A N GLY 493.A O no hydrogen 2.802 N/A GLN 497.A NE2 ASP 501.A OD1 no hydrogen 2.948 N/A GLN 497.A NE2 ASP 501.A OD2 no hydrogen 3.490 N/A ALA 498.A N LEU 494.A O no hydrogen 3.042 N/A ILE 499.A N LYS 495.A O no hydrogen 3.086 N/A GLU 500.A N LEU 496.A O no hydrogen 2.933 N/A ASP 501.A N GLN 497.A O no hydrogen 2.698 N/A LEU 502.A N ILE 499.A O no hydrogen 3.279 N/A VAL 503.A N ALA 498.A O no hydrogen 3.246 N/A PHE 509.A N PRO 506.A O no hydrogen 2.998 N/A MET 510.A N ASP 507.A O no hydrogen 2.895 N/A SER 513.A N ASP 511.A OD2 no hydrogen 3.196 N/A SER 513.A OG THR 37.A OG1 no hydrogen 2.703 N/A ALA 515.A N ASP 511.A O no hydrogen 3.271 N/A ILE 516.A N THR 512.A O no hydrogen 2.939 N/A ALA 517.A N SER 513.A O no hydrogen 2.791 N/A MET 518.A N TYR 514.A O no hydrogen 2.955 N/A HIS 519.A N ILE 516.A O no hydrogen 3.232 N/A SER 523.A N TYR 545.A O no hydrogen 3.023 N/A THR 524.A N TYR 423.A O no hydrogen 2.770 N/A THR 524.A OG1 TYR 423.A O no hydrogen 2.783 N/A SER 525.A N ILE 547.A O no hydrogen 3.207 N/A VAL 527.A N TYR 549.A O no hydrogen 2.918 N/A ALA 529.A N ASN 550.A OD1 no hydrogen 3.072 N/A LYS 530.A N ASP 327.A OD2 no hydrogen 3.072 N/A THR 531.A N ASP 327.A OD1 no hydrogen 3.036 N/A THR 531.A OG1 ASP 327.A OD1 no hydrogen 2.594 N/A CYS 533.A N THR 531.A O no hydrogen 2.629 N/A CYS 533.A SG THR 531.A O no hydrogen 3.492 N/A VAL 534.A N ILE 94.A O no hydrogen 3.289 N/A PHE 536.A N GLY 92.A O no hydrogen 3.007 N/A GLY 538.A N ILE 87.A O no hydrogen 2.913 N/A GLY 544.A N VAL 541.A O no hydrogen 3.184 N/A TYR 545.A N ASN 521.A O no hydrogen 2.712 N/A TYR 545.A OH TYR 416.A OH no hydrogen 2.528 N/A GLY 546.A N SER 561.A O no hydrogen 3.061 N/A ILE 547.A N SER 523.A O no hydrogen 2.908 N/A CYS 548.A N SER 559.A O no hydrogen 3.269 N/A CYS 548.A SG SER 525.A O no hydrogen 3.574 N/A CYS 548.A SG SER 525.A OG no hydrogen 3.371 N/A TYR 549.A N SER 525.A O no hydrogen 3.269 N/A TYR 549.A OH ASP 401.A OD1 no hydrogen 2.685 N/A ASN 550.A N ASN 557.A O no hydrogen 2.930 N/A ASN 550.A ND2 ALA 529.A O no hydrogen 3.479 N/A ASN 550.A ND2 THR 531.A O no hydrogen 3.198 N/A ASN 550.A ND2 CYS 533.A O no hydrogen 3.114 N/A MET 552.A N HIS 555.A O no hydrogen 2.737 N/A HIS 555.A NE2 ASP 532.A OD1 no hydrogen 2.841 N/A ILE 556.A N PHE 385.A O no hydrogen 2.961 N/A ASN 557.A N ASN 550.A O no hydrogen 3.158 N/A PHE 558.A N LEU 383.A O no hydrogen 2.759 N/A SER 559.A N CYS 548.A O no hydrogen 2.933 N/A SER 559.A OG MET 535.A O no hydrogen 2.735 N/A SER 559.A OG CYS 548.A O no hydrogen 3.348 N/A VAL 560.A N MET 381.A O no hydrogen 2.806 N/A SER 561.A N GLY 546.A O no hydrogen 2.928 N/A SER 561.A OG PHE 537.A O no hydrogen 2.587 N/A SER 561.A OG GLY 546.A O no hydrogen 3.163 N/A ALA 562.A N ASP 379.A O no hydrogen 2.752 N/A TYR 563.A OH PRO 539.A O no hydrogen 2.898 N/A ASN 564.A N ASP 377.A O no hydrogen 2.799 N/A ASN 564.A ND2 GLN 376.A O no hydrogen 3.091 N/A SER 565.A N ASP 377.A OD1 no hydrogen 2.651 N/A SER 565.A OG ASP 377.A OD1 no hydrogen 3.229 N/A SER 565.A OG ASP 377.A OD2 no hydrogen 3.293 N/A CYS 566.A N TYR 563.A O no hydrogen 3.164 N/A CYS 566.A SG GLU 568.A OE1 no hydrogen 3.867 N/A THR 569.A N CYS 566.A O no hydrogen 3.407 N/A THR 569.A OG1 CYS 566.A O no hydrogen 3.308 N/A ASN 570.A N TYR 545.A OH no hydrogen 3.105 N/A ALA 571.A N ASP 379.A OD2 no hydrogen 2.777 N/A ARG 573.A N ASN 570.A OD1 no hydrogen 2.860 N/A ARG 573.A NH2 TYR 577.A OH no hydrogen 3.499 N/A MET 574.A N ASN 570.A O no hydrogen 2.982 N/A ALA 575.A N ALA 571.A O no hydrogen 2.874 N/A HIS 576.A N ALA 572.A O no hydrogen 2.968 N/A TYR 577.A N ARG 573.A O no hydrogen 3.014 N/A LEU 578.A N MET 574.A O no hydrogen 2.980 N/A GLU 579.A N ALA 575.A O no hydrogen 3.065 N/A LYS 580.A N HIS 576.A O no hydrogen 3.041 N/A LYS 580.A NZ ASP 584.A OD1 no hydrogen 2.688 N/A LYS 580.A NZ ASP 584.A OD2 no hydrogen 3.005 N/A ALA 581.A N TYR 577.A O no hydrogen 2.718 N/A LEU 582.A N LEU 578.A O no hydrogen 2.962 N/A LEU 583.A N GLU 579.A O no hydrogen 3.083 N/A ASP 584.A N LYS 580.A O no hydrogen 2.853 N/A MET 585.A N ALA 581.A O no hydrogen 3.050 N/A ARG 586.A N LEU 582.A O no hydrogen 3.164 N/A THR 587.A N LEU 583.A O no hydrogen 2.974 N/A THR 587.A OG1 LEU 583.A O no hydrogen 3.036 N/A LEU 588.A N ASP 584.A O no hydrogen 3.006 N/A LEU 589.A N MET 585.A O no hydrogen 3.068 N/A GLN 590.A N ARG 586.A O no hydrogen 2.832 N/A ASN 591.A N THR 587.A O no hydrogen 2.859 N/A HIS 592.A N LEU 589.A O no hydrogen 3.213 N/A HIS 592.A NE2 GLU 460.A OE1 no hydrogen 2.853 N/A