Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3eq7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 8.A NE GLU 10.A OE1 no hydrogen 3.469 N/A ARG 8.A NH1 TYR 25.A OH no hydrogen 2.992 N/A ARG 8.A NH2 GLU 10.A OE1 no hydrogen 3.382 N/A ASP 9.A N PRO 24.A O no hydrogen 2.796 N/A THR 11.A N ASP 9.A OD1 no hydrogen 3.030 N/A THR 11.A OG1 ASP 9.A OD1 no hydrogen 3.009 N/A ALA 12.A N ASP 9.A O no hydrogen 2.923 N/A ILE 13.A N THR 11.A O no hydrogen 2.907 N/A GLN 14.A N VAL 21.A O no hydrogen 3.164 N/A TYR 16.A N HIS 19.A O no hydrogen 2.776 N/A HIS 17.A NE2 SER 599.A O no hydrogen 2.618 N/A GLY 18.A N ASP 15.A OD1 no hydrogen 2.883 N/A HIS 19.A ND1 TYR 16.A O no hydrogen 3.248 N/A VAL 21.A N GLN 14.A O no hydrogen 3.127 N/A CYS 22.A SG GLU 10.A O no hydrogen 3.880 N/A CYS 22.A SG ALA 12.A O no hydrogen 3.871 N/A ASP 23.A N ALA 12.A O no hydrogen 3.072 N/A ALA 26.A N ASP 23.A O no hydrogen 2.969 N/A TRP 27.A NE1 TYR 7.A O no hydrogen 2.741 N/A LEU 28.A N TYR 25.A O no hydrogen 2.909 N/A GLU 29.A N ALA 26.A O no hydrogen 3.267 N/A SER 33.A OG ASP 30.A O no hydrogen 3.369 N/A SER 33.A OG GLN 35.A OE1 no hydrogen 3.518 N/A SER 33.A OG THR 36.A OG1 no hydrogen 2.843 N/A GLN 35.A N GLN 35.A OE1 no hydrogen 2.456 N/A THR 36.A N SER 33.A OG no hydrogen 2.988 N/A THR 36.A OG1 ASP 30.A O no hydrogen 2.592 N/A THR 36.A OG1 SER 33.A OG no hydrogen 2.843 N/A LYS 37.A N SER 33.A O no hydrogen 3.338 N/A LYS 37.A NZ GLU 34.A OE2 no hydrogen 3.065 N/A ALA 38.A N GLU 34.A O no hydrogen 3.084 N/A ALA 38.A N GLN 35.A O no hydrogen 3.158 N/A PHE 39.A N GLN 35.A O no hydrogen 2.959 N/A VAL 40.A N THR 36.A O no hydrogen 2.886 N/A GLU 41.A N LYS 37.A O no hydrogen 3.103 N/A ALA 42.A N ALA 38.A O no hydrogen 2.937 N/A GLN 43.A N PHE 39.A O no hydrogen 3.029 N/A GLN 43.A N VAL 40.A O no hydrogen 3.135 N/A GLN 43.A NE2 GLN 654.A OE1 no hydrogen 3.001 N/A ASN 44.A N VAL 40.A O no hydrogen 3.112 N/A ASN 44.A ND2 VAL 671.A O no hydrogen 2.839 N/A ILE 46.A N GLN 43.A O no hydrogen 3.018 N/A THR 47.A N GLN 43.A O no hydrogen 3.065 N/A THR 47.A OG1 ILE 669.A O no hydrogen 2.914 N/A VAL 48.A N ASN 44.A O no hydrogen 3.113 N/A LEU 51.A N THR 47.A O no hydrogen 2.771 N/A GLU 52.A N VAL 48.A O no hydrogen 2.944 N/A GLN 53.A N PRO 49.A O no hydrogen 2.898 N/A GLN 53.A N PHE 50.A O no hydrogen 3.259 N/A CYS 54.A SG ALA 695.A O no hydrogen 3.742 N/A ARG 57.A N CYS 54.A O no hydrogen 3.081 N/A ARG 57.A NE ASP 692.A OD1 no hydrogen 2.827 N/A ARG 57.A NH2 ASP 692.A OD1 no hydrogen 2.477 N/A GLY 58.A N PRO 55.A O no hydrogen 3.043 N/A TYR 60.A N ILE 56.A O no hydrogen 2.719 N/A TYR 60.A OH SER 484.A O no hydrogen 2.539 N/A LYS 61.A N ARG 57.A O no hydrogen 3.393 N/A GLU 62.A N GLY 58.A O no hydrogen 3.044 N/A ARG 63.A N LEU 59.A O no hydrogen 3.085 N/A ARG 63.A NE HIS 491.A NE2 no hydrogen 2.748 N/A ARG 63.A NH1 GLU 66.A OE1 no hydrogen 3.355 N/A ARG 63.A NH2 HIS 491.A NE2 no hydrogen 3.542 N/A MET 64.A N TYR 60.A O no hydrogen 2.728 N/A THR 65.A N LYS 61.A O no hydrogen 3.097 N/A THR 65.A OG1 LYS 61.A O no hydrogen 3.030 N/A GLU 66.A N GLU 62.A O no hydrogen 3.344 N/A LEU 67.A N ARG 63.A O no hydrogen 3.051 N/A TYR 68.A N MET 64.A O no hydrogen 2.751 N/A ASP 69.A N GLU 66.A O no hydrogen 2.838 N/A LYS 72.A N ASN 88.A O no hydrogen 2.839 N/A LYS 72.A NZ TYR 68.A O no hydrogen 2.565 N/A LYS 72.A NZ GLY 90.A O no hydrogen 2.572 N/A SER 74.A N PHE 86.A O no hydrogen 2.933 N/A SER 74.A OG CYS 75.A O no hydrogen 3.028 N/A HIS 76.A NE2 GLN 100.A OE1 no hydrogen 2.544 N/A PHE 77.A N PHE 84.A O no hydrogen 2.731 N/A LYS 79.A N ARG 82.A O no hydrogen 3.068 N/A ARG 82.A N LYS 79.A O no hydrogen 3.276 N/A ARG 82.A NH1 GLU 134.A OE1 no hydrogen 2.976 N/A ARG 82.A NH1 GLU 134.A OE2 no hydrogen 3.533 N/A ARG 82.A NH2 GLU 134.A OE1 no hydrogen 3.520 N/A TYR 83.A N GLN 100.A O no hydrogen 2.683 N/A TYR 83.A OH GLU 390.A OE2 no hydrogen 2.423 N/A TYR 85.A N TYR 98.A O no hydrogen 3.375 N/A PHE 86.A N SER 74.A OG no hydrogen 3.012 N/A TYR 87.A N VAL 96.A O no hydrogen 2.925 N/A ASN 88.A N LYS 72.A O no hydrogen 2.759 N/A ASN 88.A ND2 GLN 92.A O no hydrogen 2.944 N/A THR 89.A N GLN 92.A OE1 no hydrogen 2.717 N/A THR 89.A OG1 GLN 92.A OE1 no hydrogen 2.614 N/A GLY 90.A N ASN 88.A OD1 no hydrogen 3.358 N/A GLN 92.A N ASN 88.A OD1 no hydrogen 3.032 N/A GLN 94.A N ASN 114.A OD1 no hydrogen 3.070 N/A GLN 94.A NE2 GLY 120.A O no hydrogen 3.146 N/A GLN 94.A NE2 GLY 680.A O no hydrogen 2.451 N/A VAL 96.A N TYR 87.A O no hydrogen 3.312 N/A LEU 97.A N LEU 111.A O no hydrogen 2.840 N/A TYR 98.A N TYR 85.A O no hydrogen 3.050 N/A VAL 99.A N ARG 108.A O no hydrogen 2.890 N/A GLN 100.A N TYR 83.A O no hydrogen 3.113 N/A GLN 100.A NE2 GLY 105.A O no hydrogen 3.115 N/A GLU 104.A N SER 102.A OG no hydrogen 2.946 N/A GLY 105.A N SER 102.A O no hydrogen 2.597 N/A ARG 108.A N VAL 99.A O no hydrogen 3.064 N/A ARG 108.A NH2 ASP 101.A OD1 no hydrogen 2.733 N/A PHE 110.A N LEU 97.A O no hydrogen 2.591 N/A LEU 111.A N LEU 97.A O no hydrogen 2.929 N/A ASN 114.A N ASP 112.A OD1 no hydrogen 2.969 N/A ASN 114.A ND2 GLN 94.A O no hydrogen 2.584 N/A ASN 114.A ND2 ASP 112.A OD1 no hydrogen 3.003 N/A ILE 115.A N ASP 112.A O no hydrogen 3.325 N/A LEU 116.A N PRO 113.A O no hydrogen 3.255 N/A GLY 120.A N SER 117.A O no hydrogen 2.977 N/A THR 121.A N ASP 119.A OD1 no hydrogen 3.141 N/A THR 121.A OG1 ASP 119.A OD1 no hydrogen 2.393 N/A ALA 123.A N SER 141.A O no hydrogen 3.206 N/A ARG 125.A N GLY 139.A O no hydrogen 2.649 N/A ARG 125.A NE SER 141.A OG no hydrogen 2.706 N/A ALA 128.A N ALA 137.A O no hydrogen 2.988 N/A SER 130.A N TYR 135.A O no hydrogen 2.966 N/A SER 130.A OG ASP 132.A OD1 no hydrogen 3.035 N/A SER 130.A OG TYR 135.A O no hydrogen 2.823 N/A GLY 133.A N SER 130.A O no hydrogen 3.104 N/A GLU 134.A N ASP 132.A OD1 no hydrogen 2.461 N/A TYR 135.A N SER 130.A OG no hydrogen 2.750 N/A PHE 136.A N MET 153.A O no hydrogen 2.917 N/A ALA 137.A N ALA 128.A O no hydrogen 3.109 N/A TYR 138.A N LYS 151.A O no hydrogen 3.098 N/A GLY 139.A N GLY 126.A O no hydrogen 3.262 N/A LEU 140.A N THR 149.A O no hydrogen 3.005 N/A SER 141.A N ALA 123.A O no hydrogen 2.824 N/A SER 141.A OG SER 145.A O no hydrogen 3.324 N/A SER 141.A OG TRP 147.A O no hydrogen 3.125 N/A SER 143.A N THR 121.A O no hydrogen 2.748 N/A SER 145.A N ALA 142.A O no hydrogen 3.149 N/A SER 145.A OG ASP 639.A OD1 no hydrogen 2.637 N/A ASP 146.A N ASP 639.A OD1 no hydrogen 2.840 N/A TRP 147.A N SER 145.A OG no hydrogen 2.822 N/A TRP 147.A NE1 GLU 198.A OE1 no hydrogen 2.802 N/A VAL 148.A N VAL 168.A O no hydrogen 2.729 N/A THR 149.A N LEU 140.A O no hydrogen 3.345 N/A ILE 150.A N LEU 165.A O no hydrogen 3.125 N/A LYS 151.A N TYR 138.A O no hydrogen 2.799 N/A MET 153.A N PHE 136.A O no hydrogen 2.841 N/A LYS 154.A N LYS 159.A O no hydrogen 2.606 N/A VAL 155.A N GLU 134.A O no hydrogen 3.188 N/A ALA 158.A N VAL 155.A O no hydrogen 3.024 N/A LYS 159.A N LYS 154.A O no hydrogen 2.863 N/A LEU 161.A N PHE 152.A O no hydrogen 3.063 N/A LEU 165.A N ILE 150.A O no hydrogen 2.926 N/A GLU 166.A N GLN 216.A OE1 no hydrogen 2.794 N/A SER 171.A OG CYS 172.A O no hydrogen 2.631 N/A CYS 172.A N ASN 185.A OD1 no hydrogen 3.249 N/A CYS 172.A SG PHE 183.A O no hydrogen 3.997 N/A CYS 172.A SG ASN 185.A OD1 no hydrogen 3.284 N/A CYS 172.A SG ALA 235.A O no hydrogen 4.023 N/A ALA 174.A N PHE 183.A O no hydrogen 3.216 N/A TRP 175.A NE1 ALA 128.A O no hydrogen 3.081 N/A THR 176.A N GLY 181.A O no hydrogen 3.301 N/A THR 176.A OG1 ASP 178.A OD1 no hydrogen 2.524 N/A THR 176.A OG1 GLY 181.A O no hydrogen 3.354 N/A THR 176.A OG1 TYR 209.A OH no hydrogen 2.692 N/A GLY 179.A N THR 176.A O no hydrogen 3.021 N/A LYS 180.A N ASP 178.A OD1 no hydrogen 3.313 N/A MET 182.A N HIS 210.A O no hydrogen 2.670 N/A PHE 183.A N ALA 174.A O no hydrogen 2.797 N/A TYR 184.A N TYR 208.A O no hydrogen 3.005 N/A TYR 184.A OH ASP 219.A OD2 no hydrogen 2.688 N/A ASN 185.A ND2 LYS 206.A O no hydrogen 2.923 N/A ASN 185.A ND2 GLY 233.A O no hydrogen 3.139 N/A ALA 186.A N LYS 206.A O no hydrogen 3.249 N/A TYR 187.A N ARG 167.A O no hydrogen 3.160 N/A GLN 190.A NE2 GLN 190.A O no hydrogen 3.464 N/A GLN 190.A NE2 LYS 193.A O no hydrogen 2.848 N/A LYS 193.A NZ ASP 32.A OD1 no hydrogen 2.819 N/A LYS 193.A NZ THR 197.A OG1 no hydrogen 2.839 N/A SER 194.A OG LYS 193.A O no hydrogen 3.153 N/A ASP 195.A N GLU 198.A OE2 no hydrogen 3.140 N/A GLY 196.A N GLU 198.A OE2 no hydrogen 3.038 N/A THR 197.A N ASP 195.A OD1 no hydrogen 3.151 N/A THR 197.A OG1 ASP 195.A OD1 no hydrogen 2.561 N/A THR 197.A OG1 ASP 195.A OD2 no hydrogen 3.428 N/A GLU 198.A N GLU 198.A OE2 no hydrogen 2.839 N/A THR 201.A OG1 THR 587.A O no hydrogen 3.322 N/A ASN 202.A N THR 587.A O no hydrogen 2.983 N/A HIS 204.A N PRO 229.A O no hydrogen 2.892 N/A GLN 205.A NE2 LYS 169.A O no hydrogen 3.686 N/A LYS 206.A N ALA 186.A O no hydrogen 3.022 N/A LYS 206.A NZ HIS 204.A O no hydrogen 3.524 N/A LEU 207.A N ALA 223.A O no hydrogen 3.107 N/A TYR 208.A N TYR 184.A O no hydrogen 2.893 N/A TYR 209.A N ILE 220.A O no hydrogen 2.748 N/A TYR 209.A OH THR 176.A OG1 no hydrogen 2.692 N/A HIS 210.A N MET 182.A O no hydrogen 2.675 N/A HIS 210.A ND1 ASP 219.A OD1 no hydrogen 2.978 N/A HIS 210.A NE2 ASP 163.A OD2 no hydrogen 2.435 N/A LEU 212.A N LYS 180.A O no hydrogen 3.120 N/A GLY 213.A N ASP 163.A OD2 no hydrogen 3.148 N/A THR 214.A N VAL 211.A O no hydrogen 3.147 N/A THR 214.A OG1 VAL 211.A O no hydrogen 2.806 N/A THR 214.A OG1 ASP 215.A O no hydrogen 3.506 N/A ASP 215.A N GLU 218.A OE1 no hydrogen 2.569 N/A GLN 216.A NE2 GLU 166.A O no hydrogen 3.180 N/A GLN 216.A NE2 TYR 184.A OH no hydrogen 2.727 N/A GLU 218.A N ASP 215.A O no hydrogen 2.893 N/A ASP 219.A N GLN 216.A O no hydrogen 2.898 N/A ILE 220.A N TYR 209.A O no hydrogen 3.439 N/A CYS 222.A N LEU 207.A O no hydrogen 2.775 N/A CYS 222.A SG ILE 220.A O no hydrogen 3.355 N/A CYS 222.A SG GLY 272.A O no hydrogen 4.049 N/A ALA 223.A N LEU 207.A O no hydrogen 3.381 N/A GLU 228.A N PHE 225.A O no hydrogen 2.900 N/A TRP 231.A NE1 GLU 250.A OE1 no hydrogen 3.141 N/A MET 232.A N ARG 249.A O no hydrogen 2.864 N/A GLY 234.A N SER 247.A O no hydrogen 2.943 N/A GLU 236.A N LEU 245.A O no hydrogen 3.069 N/A SER 238.A N TYR 243.A O no hydrogen 2.963 N/A SER 238.A OG ASP 240.A OD2 no hydrogen 2.746 N/A SER 238.A OG TYR 243.A O no hydrogen 3.212 N/A ASP 239.A N TYR 289.A OH no hydrogen 2.678 N/A GLY 241.A N SER 238.A O no hydrogen 2.788 N/A ARG 242.A N ASP 240.A OD2 no hydrogen 3.420 N/A ARG 242.A NE ASP 262.A OD1 no hydrogen 2.586 N/A ARG 242.A NE ASP 262.A OD2 no hydrogen 3.231 N/A ARG 242.A NH2 ASP 262.A OD2 no hydrogen 2.621 N/A TYR 243.A N SER 238.A OG no hydrogen 2.754 N/A VAL 244.A N CYS 261.A O no hydrogen 3.249 N/A LEU 245.A N GLU 236.A O no hydrogen 2.670 N/A LEU 246.A N TRP 259.A O no hydrogen 2.867 N/A SER 247.A N GLY 234.A O no hydrogen 2.755 N/A SER 247.A OG GLY 234.A O no hydrogen 3.421 N/A ILE 248.A N ARG 257.A O no hydrogen 2.996 N/A ARG 249.A N MET 232.A O no hydrogen 2.829 N/A ARG 249.A NH1 GLU 286.A OE2 no hydrogen 3.396 N/A ARG 249.A NH2 GLU 286.A OE2 no hydrogen 3.025 N/A CYS 252.A N ALA 591.A O no hydrogen 2.962 N/A CYS 252.A N THR 594.A OG1 no hydrogen 3.206 N/A CYS 252.A SG ALA 591.A O no hydrogen 3.601 N/A ASN 256.A N GLY 285.A O no hydrogen 3.027 N/A ASN 256.A ND2 ARG 257.A O no hydrogen 2.918 N/A ARG 257.A N ILE 248.A O no hydrogen 2.936 N/A ARG 257.A NE ASP 281.A OD2 no hydrogen 3.238 N/A LEU 258.A N ILE 280.A O no hydrogen 2.861 N/A TRP 259.A N LEU 246.A O no hydrogen 3.123 N/A TRP 259.A NE1 ASP 281.A OD2 no hydrogen 3.326 N/A TYR 260.A N VAL 277.A O no hydrogen 2.960 N/A CYS 261.A N VAL 244.A O no hydrogen 3.347 N/A LEU 263.A N ARG 242.A O no hydrogen 2.797 N/A GLN 264.A N ASP 262.A OD1 no hydrogen 3.011 N/A GLN 265.A N ASP 262.A O no hydrogen 2.482 N/A GLN 265.A NE2 GLN 264.A O no hydrogen 3.671 N/A GLU 266.A N LEU 263.A O no hydrogen 3.297 N/A LEU 274.A N CYS 222.A O no hydrogen 3.483 N/A LYS 275.A N GLU 266.A OE2 no hydrogen 3.393 N/A LYS 275.A NZ GLN 265.A O no hydrogen 3.257 N/A TRP 276.A NE1 CYS 222.A O no hydrogen 3.155 N/A VAL 277.A N TYR 260.A O no hydrogen 2.619 N/A ILE 280.A N LEU 258.A O no hydrogen 3.023 N/A GLU 284.A N ASN 282.A OD1 no hydrogen 3.099 N/A GLU 286.A N ASN 302.A OD1 no hydrogen 2.517 N/A TYR 287.A N ASN 256.A OD1 no hydrogen 3.016 N/A ASP 288.A N LYS 300.A O no hydrogen 2.638 N/A TYR 289.A OH ASN 292.A OD1 no hydrogen 2.758 N/A VAL 290.A N THR 298.A O no hydrogen 2.886 N/A THR 291.A OG1 ASP 239.A OD2 no hydrogen 2.598 N/A THR 291.A OG1 ASN 292.A O no hydrogen 3.569 N/A ASN 292.A ND2 GLY 294.A O no hydrogen 2.943 N/A GLU 293.A N VAL 296.A O no hydrogen 2.829 N/A THR 295.A OG1 ASP 314.A OD1 no hydrogen 2.400 N/A VAL 296.A N GLU 293.A O no hydrogen 3.307 N/A PHE 297.A N ILE 313.A O no hydrogen 2.892 N/A THR 298.A N THR 291.A O no hydrogen 2.939 N/A PHE 299.A N ILE 311.A O no hydrogen 2.995 N/A LYS 300.A N ASP 288.A O no hydrogen 2.727 N/A LYS 300.A NZ LEU 335.A O no hydrogen 3.138 N/A LYS 300.A NZ GLU 336.A O no hydrogen 3.276 N/A THR 301.A N ARG 309.A O no hydrogen 3.299 N/A THR 301.A OG1 GLU 286.A O no hydrogen 2.857 N/A ASN 302.A ND2 PRO 254.A O no hydrogen 2.873 N/A ARG 303.A N THR 301.A OG1 no hydrogen 2.896 N/A ARG 303.A NH1 GLU 284.A OE2 no hydrogen 2.745 N/A ARG 303.A NH2 GLU 320.A OE1 no hydrogen 2.749 N/A SER 305.A N ASN 302.A O no hydrogen 3.009 N/A ASN 307.A N GLU 329.A OE1 no hydrogen 2.839 N/A TYR 308.A N SER 305.A O no hydrogen 2.807 N/A ARG 309.A N THR 301.A O no hydrogen 3.091 N/A LEU 310.A N VAL 327.A O no hydrogen 3.067 N/A ILE 311.A N PHE 299.A O no hydrogen 3.312 N/A ASN 312.A N LYS 324.A O no hydrogen 2.807 N/A ILE 313.A N PHE 297.A O no hydrogen 2.789 N/A PHE 315.A N THR 295.A O no hydrogen 3.333 N/A THR 316.A N ASP 314.A OD1 no hydrogen 2.895 N/A THR 316.A OG1 ASP 314.A OD1 no hydrogen 2.816 N/A ASP 317.A N ASP 314.A O no hydrogen 3.007 N/A SER 321.A OG SER 321.A O no hydrogen 2.311 N/A LYS 322.A N GLU 320.A O no hydrogen 2.449 N/A LYS 322.A NZ ASP 317.A OD2 no hydrogen 3.546 N/A TRP 323.A N GLU 320.A O no hydrogen 3.022 N/A TRP 323.A NE1 PRO 318.A O no hydrogen 2.685 N/A LYS 324.A N ASN 312.A O no hydrogen 3.082 N/A LEU 326.A N LEU 310.A O no hydrogen 3.049 N/A LYS 332.A N HIS 330.A ND1 no hydrogen 2.909 N/A ASP 333.A N HIS 330.A ND1 no hydrogen 2.728 N/A VAL 334.A N LEU 351.A O no hydrogen 3.323 N/A LEU 335.A N ASN 307.A O no hydrogen 3.026 N/A GLU 336.A N CYS 349.A O no hydrogen 3.199 N/A ALA 339.A N VAL 347.A O no hydrogen 2.942 N/A CYS 340.A SG SER 343.A O no hydrogen 3.311 N/A CYS 340.A SG PHE 345.A O no hydrogen 3.600 N/A VAL 341.A N PHE 345.A O no hydrogen 2.925 N/A ARG 342.A N ASP 388.A O no hydrogen 2.994 N/A ARG 342.A NE ARG 342.A O no hydrogen 3.102 N/A ARG 342.A NH1 LEU 409.A O no hydrogen 3.552 N/A SER 343.A N LYS 386.A O no hydrogen 2.978 N/A ASN 344.A N ARG 342.A O no hydrogen 2.809 N/A PHE 345.A N VAL 341.A O no hydrogen 2.955 N/A LEU 346.A N HIS 361.A O no hydrogen 2.764 N/A VAL 347.A N ALA 339.A O no hydrogen 2.765 N/A CYS 349.A N TRP 337.A O no hydrogen 3.225 N/A CYS 349.A SG TYR 350.A O no hydrogen 4.007 N/A CYS 349.A SG THR 357.A O no hydrogen 4.022 N/A TYR 350.A N THR 357.A O no hydrogen 2.966 N/A LEU 351.A N VAL 334.A O no hydrogen 2.796 N/A HIS 352.A N LYS 355.A O no hydrogen 2.644 N/A HIS 352.A ND1 ASP 333.A OD1 no hydrogen 2.971 N/A LYS 355.A NZ ASP 353.A O no hydrogen 3.372 N/A ASN 356.A N GLY 377.A O no hydrogen 3.007 N/A ASN 356.A ND2 TYR 350.A O no hydrogen 2.978 N/A THR 357.A N TYR 350.A O no hydrogen 2.993 N/A GLN 359.A N LEU 348.A O no hydrogen 2.962 N/A HIS 361.A N LEU 346.A O no hydrogen 2.612 N/A HIS 361.A ND1 GLY 366.A O no hydrogen 2.751 N/A HIS 361.A NE2 GLN 359.A OE1 no hydrogen 3.169 N/A ASP 362.A N ALA 367.A O no hydrogen 3.095 N/A LEU 363.A N ASN 344.A O no hydrogen 2.978 N/A ALA 364.A N ASP 362.A OD2 no hydrogen 3.327 N/A THR 365.A N ASP 362.A OD1 no hydrogen 2.472 N/A THR 365.A OG1 ASP 362.A OD1 no hydrogen 3.008 N/A GLY 366.A N ASP 362.A O no hydrogen 2.592 N/A ALA 367.A N THR 365.A OG1 no hydrogen 2.854 N/A LEU 369.A N LEU 360.A O no hydrogen 2.732 N/A LYS 370.A N LEU 360.A O no hydrogen 3.162 N/A LYS 370.A NZ ILE 371.A O no hydrogen 3.433 N/A PHE 372.A N LEU 358.A O no hydrogen 2.630 N/A SER 378.A N THR 396.A O no hydrogen 2.980 N/A SER 378.A OG THR 478.A OG1 no hydrogen 2.538 N/A SER 378.A OG PRO 479.A O no hydrogen 3.321 N/A VAL 379.A N ASN 356.A OD1 no hydrogen 3.090 N/A VAL 380.A N GLN 394.A O no hydrogen 2.846 N/A TYR 382.A OH GLY 384.A O no hydrogen 2.909 N/A SER 383.A OG HIS 76.A O no hydrogen 2.587 N/A GLN 385.A N ASP 388.A OD2 no hydrogen 2.636 N/A GLN 385.A NE2 GLY 384.A O no hydrogen 3.276 N/A LYS 386.A NZ THR 291.A OG1 no hydrogen 3.014 N/A LYS 386.A NZ GLU 293.A OE2 no hydrogen 2.777 N/A LYS 386.A NZ SER 343.A O no hydrogen 3.071 N/A ASP 388.A N GLN 385.A O no hydrogen 2.913 N/A ILE 391.A N CYS 407.A O no hydrogen 3.100 N/A TYR 393.A N TYR 405.A O no hydrogen 3.182 N/A GLN 394.A N GLY 381.A O no hydrogen 3.070 N/A GLN 394.A NE2 TYR 73.A O no hydrogen 3.096 N/A PHE 395.A N ILE 403.A O no hydrogen 2.706 N/A THR 396.A N SER 378.A O no hydrogen 2.996 N/A THR 396.A OG1 SER 400.A O no hydrogen 3.014 N/A THR 396.A OG1 PRO 401.A O no hydrogen 3.155 N/A SER 397.A N SER 400.A O no hydrogen 3.147 N/A LEU 399.A N SER 397.A OG no hydrogen 3.205 N/A SER 400.A N SER 397.A O no hydrogen 3.061 N/A ILE 403.A N PHE 395.A O no hydrogen 2.854 N/A ILE 404.A N ARG 420.A O no hydrogen 2.690 N/A TYR 405.A N TYR 393.A O no hydrogen 2.840 N/A HIS 406.A N ARG 417.A O no hydrogen 3.078 N/A HIS 406.A NE2 GLU 390.A OE1 no hydrogen 2.410 N/A CYS 407.A N ILE 391.A O no hydrogen 3.134 N/A LEU 409.A N THR 389.A O no hydrogen 3.039 N/A THR 410.A N ASP 408.A OD1 no hydrogen 2.935 N/A THR 410.A OG1 ASP 408.A OD1 no hydrogen 2.570 N/A LYS 411.A N ASP 408.A O no hydrogen 3.457 N/A ARG 417.A N HIS 406.A O no hydrogen 3.322 N/A PHE 419.A N ILE 404.A O no hydrogen 2.819 N/A ARG 420.A N ILE 404.A O no hydrogen 3.103 N/A ILE 427.A N VAL 424.A O no hydrogen 3.125 N/A SER 430.A OG ASP 428.A OD1 no hydrogen 3.143 N/A ASP 431.A N ASP 428.A O no hydrogen 2.772 N/A TYR 432.A N ALA 429.A O no hydrogen 2.725 N/A GLN 433.A N HIS 453.A O no hydrogen 2.809 N/A VAL 435.A N ILE 451.A O no hydrogen 3.171 N/A GLN 436.A NE2 ASP 353.A O no hydrogen 3.279 N/A ILE 437.A N MET 449.A O no hydrogen 3.114 N/A TYR 439.A N ILE 447.A O no hydrogen 2.964 N/A TYR 439.A OH ASP 526.A O no hydrogen 2.852 N/A SER 441.A N THR 445.A O no hydrogen 3.006 N/A SER 441.A OG ASP 526.A OD1 no hydrogen 2.722 N/A GLY 444.A N SER 441.A O no hydrogen 3.013 N/A THR 445.A N ASP 443.A OD2 no hydrogen 2.856 N/A THR 445.A OG1 ASP 443.A OD2 no hydrogen 3.191 N/A ILE 447.A N TYR 439.A O no hydrogen 2.611 N/A MET 449.A N ILE 437.A O no hydrogen 3.262 N/A PHE 450.A N VAL 498.A O no hydrogen 2.859 N/A ILE 451.A N VAL 435.A O no hydrogen 2.837 N/A VAL 452.A N LEU 496.A O no hydrogen 2.789 N/A HIS 453.A N GLN 433.A O no hydrogen 3.356 N/A LYS 455.A N ASP 431.A O no hydrogen 2.878 N/A LYS 455.A NZ SER 430.A O no hydrogen 2.696 N/A GLY 461.A N GLY 538.A O no hydrogen 2.592 N/A SER 462.A N ASP 460.A OD1 no hydrogen 3.107 N/A SER 462.A OG ASP 460.A OD1 no hydrogen 2.707 N/A SER 462.A OG ASP 460.A OD2 no hydrogen 3.548 N/A HIS 463.A NE2 LYS 458.A O no hydrogen 2.730 N/A PHE 466.A N VAL 495.A O no hydrogen 2.727 N/A LEU 467.A N THR 546.A O no hydrogen 2.675 N/A TYR 468.A N ALA 497.A O no hydrogen 2.834 N/A PHE 473.A N ASP 595.A OD2 no hydrogen 2.950 N/A ASN 474.A N GLY 503.A O no hydrogen 3.354 N/A ILE 475.A N GLY 472.A O no hydrogen 3.388 N/A ILE 477.A N GLU 506.A OE1 no hydrogen 3.108 N/A THR 478.A OG1 SER 378.A OG no hydrogen 2.538 N/A SER 484.A OG SER 482.A OG no hydrogen 3.309 N/A ARG 485.A N SER 482.A O no hydrogen 3.101 N/A ARG 485.A N SER 482.A OG no hydrogen 3.136 N/A LEU 486.A N SER 482.A O no hydrogen 3.168 N/A LEU 486.A N VAL 483.A O no hydrogen 2.937 N/A ILE 487.A N VAL 483.A O no hydrogen 2.916 N/A VAL 489.A N ARG 485.A O no hydrogen 3.271 N/A ARG 490.A N LEU 486.A O no hydrogen 2.839 N/A ARG 490.A NH2 PRO 707.A O no hydrogen 2.448 N/A HIS 491.A N ILE 487.A O no hydrogen 2.631 N/A HIS 491.A ND1 ILE 706.A O no hydrogen 2.627 N/A GLY 494.A N PHE 488.A O no hydrogen 3.164 N/A VAL 495.A N PRO 464.A O no hydrogen 2.974 N/A LEU 496.A N VAL 452.A O no hydrogen 2.922 N/A ALA 497.A N PHE 466.A O no hydrogen 2.975 N/A VAL 498.A N PHE 450.A O no hydrogen 2.883 N/A ALA 499.A N TYR 468.A O no hydrogen 2.955 N/A ASN 500.A N PRO 448.A O no hydrogen 3.138 N/A ASN 500.A ND2 ILE 477.A O no hydrogen 2.824 N/A ASN 500.A ND2 GLU 506.A OE1 no hydrogen 2.736 N/A ARG 502.A N ASP 526.A OD2 no hydrogen 3.121 N/A ARG 502.A NE ASP 526.A OD1 no hydrogen 3.261 N/A ARG 502.A NE ASP 526.A OD2 no hydrogen 2.809 N/A ARG 502.A NH1 ASP 443.A OD1 no hydrogen 2.500 N/A ARG 502.A NH2 SER 441.A OG no hydrogen 3.083 N/A ARG 502.A NH2 ASP 443.A OD1 no hydrogen 2.816 N/A ARG 502.A NH2 ASP 443.A OD2 no hydrogen 2.796 N/A ARG 502.A NH2 ASP 526.A OD1 no hydrogen 2.908 N/A GLY 503.A N TRP 511.A O no hydrogen 2.531 N/A GLY 505.A N ILE 475.A O no hydrogen 3.092 N/A GLU 506.A N GLU 506.A OE2 no hydrogen 2.767 N/A TYR 507.A OH ASP 353.A OD1 no hydrogen 2.551 N/A GLY 508.A N GLY 505.A O no hydrogen 3.076 N/A GLU 509.A N PRO 306.A O no hydrogen 2.854 N/A THR 510.A OG1 TYR 507.A O no hydrogen 3.476 N/A TRP 511.A N GLY 508.A O no hydrogen 3.153 N/A TRP 511.A NE1 ASN 500.A O no hydrogen 3.076 N/A HIS 512.A N GLY 508.A O no hydrogen 3.343 N/A HIS 512.A ND1 GLU 509.A OE1 no hydrogen 2.945 N/A HIS 512.A NE2 ASP 595.A OD1 no hydrogen 3.256 N/A LYS 513.A N GLU 509.A O no hydrogen 2.606 N/A GLY 514.A N TRP 511.A O no hydrogen 3.409 N/A GLY 515.A N HIS 512.A O no hydrogen 3.319 N/A LEU 517.A N ASP 595.A O no hydrogen 2.650 N/A ASN 519.A N ILE 516.A O no hydrogen 3.215 N/A LYS 520.A N LEU 517.A O no hydrogen 3.358 N/A GLN 521.A NE2 ASP 525.A OD1 no hydrogen 2.695 N/A GLN 521.A NE2 GLN 563.A OE1 no hydrogen 3.340 N/A ASN 522.A N ASN 519.A O no hydrogen 2.783 N/A ASN 522.A ND2 GLY 514.A O no hydrogen 3.253 N/A CYS 523.A N LYS 520.A O no hydrogen 2.948 N/A CYS 523.A SG ARG 502.A O no hydrogen 3.971 N/A CYS 523.A SG GLY 515.A O no hydrogen 3.450 N/A CYS 523.A SG LYS 520.A O no hydrogen 2.799 N/A ASP 525.A N GLN 521.A O no hydrogen 3.172 N/A ASP 526.A N ASN 522.A O no hydrogen 2.980 N/A PHE 527.A N CYS 523.A O no hydrogen 2.721 N/A GLN 528.A NE2 GLN 563.A OE1 no hydrogen 3.181 N/A CYS 529.A N ASP 525.A O no hydrogen 3.025 N/A CYS 529.A SG ASP 525.A O no hydrogen 3.258 N/A GLU 532.A N GLN 528.A O no hydrogen 3.064 N/A TYR 533.A N CYS 529.A O no hydrogen 3.135 N/A LEU 534.A N ALA 530.A O no hydrogen 3.030 N/A ILE 535.A N ALA 531.A O no hydrogen 2.912 N/A LYS 536.A N GLU 532.A O no hydrogen 2.870 N/A GLU 537.A N TYR 533.A O no hydrogen 2.966 N/A GLY 538.A N ILE 535.A O no hydrogen 3.375 N/A TYR 539.A N LEU 534.A O no hydrogen 2.711 N/A THR 540.A OG1 HIS 463.A O no hydrogen 2.375 N/A THR 540.A OG1 SER 541.A O no hydrogen 3.513 N/A THR 540.A OG1 ARG 544.A O no hydrogen 3.526 N/A SER 541.A OG GLY 461.A O no hydrogen 3.419 N/A ARG 544.A N SER 541.A O no hydrogen 3.132 N/A LEU 545.A N PRO 542.A O no hydrogen 3.404 N/A THR 546.A N ALA 465.A O no hydrogen 2.963 N/A ILE 547.A N CYS 570.A O no hydrogen 3.182 N/A ASN 548.A N LEU 467.A O no hydrogen 2.959 N/A ASN 548.A ND2 ILE 572.A O no hydrogen 2.537 N/A ASN 548.A ND2 GLN 574.A OE1 no hydrogen 3.098 N/A SER 551.A N GLN 574.A O no hydrogen 2.865 N/A SER 551.A OG HIS 677.A NE2 no hydrogen 2.682 N/A GLY 553.A N GLY 550.A O no hydrogen 2.643 N/A LEU 555.A N SER 551.A O no hydrogen 3.258 N/A LEU 556.A N ASN 552.A O no hydrogen 3.290 N/A VAL 557.A N GLY 553.A O no hydrogen 3.007 N/A ALA 558.A N GLY 554.A O no hydrogen 2.990 N/A THR 559.A N LEU 555.A O no hydrogen 2.917 N/A THR 559.A OG1 LEU 555.A O no hydrogen 2.729 N/A CYS 560.A N LEU 556.A O no hydrogen 3.013 N/A CYS 560.A SG PHE 524.A O no hydrogen 3.967 N/A CYS 560.A SG LEU 556.A O no hydrogen 3.299 N/A ALA 561.A N VAL 557.A O no hydrogen 3.235 N/A ASN 562.A N THR 559.A O no hydrogen 3.244 N/A ASN 562.A ND2 PRO 613.A O no hydrogen 3.229 N/A GLN 563.A N THR 559.A O no hydrogen 2.918 N/A GLN 563.A NE2 GLN 521.A OE1 no hydrogen 3.071 N/A ARG 564.A N CYS 560.A O no hydrogen 2.983 N/A ARG 564.A NE ASP 566.A OD1 no hydrogen 3.470 N/A ARG 564.A NH1 GLU 532.A OE1 no hydrogen 3.281 N/A ARG 564.A NH2 ASP 566.A OD2 no hydrogen 2.674 N/A LEU 567.A N ARG 564.A O no hydrogen 3.226 N/A GLY 569.A N LEU 545.A O no hydrogen 3.056 N/A VAL 571.A N SER 629.A O no hydrogen 2.870 N/A ILE 572.A N ILE 547.A O no hydrogen 3.328 N/A ALA 573.A N LEU 631.A O no hydrogen 3.114 N/A GLN 574.A N GLY 549.A O no hydrogen 2.981 N/A VAL 575.A N LEU 633.A O no hydrogen 2.728 N/A MET 578.A N HIS 645.A ND1 no hydrogen 3.347 N/A ASP 579.A N HIS 645.A ND1 no hydrogen 3.105 N/A LEU 581.A N ASP 579.A OD1 no hydrogen 2.973 N/A LYS 582.A N ASP 579.A OD1 no hydrogen 2.993 N/A LYS 582.A NZ ASP 23.A OD2 no hydrogen 3.255 N/A LYS 582.A NZ GLU 29.A OE2 no hydrogen 3.327 N/A LYS 585.A N LYS 582.A O no hydrogen 3.275 N/A TYR 586.A OH GLU 29.A OE1 no hydrogen 2.789 N/A THR 587.A N THR 199.A O no hydrogen 2.810 N/A THR 587.A OG1 ASP 639.A O no hydrogen 2.930 N/A GLY 589.A N TYR 586.A O no hydrogen 2.630 N/A ALA 591.A N ILE 588.A O no hydrogen 3.063 N/A TRP 592.A N GLY 589.A O no hydrogen 2.814 N/A THR 593.A OG1 HIS 590.A O no hydrogen 3.171 N/A THR 594.A OG1 ALA 591.A O no hydrogen 3.221 N/A ASP 595.A N TRP 592.A O no hydrogen 2.765 N/A TYR 596.A N TRP 592.A O no hydrogen 3.258 N/A CYS 598.A N HIS 604.A ND1 no hydrogen 2.659 N/A SER 599.A OG LEU 581.A O no hydrogen 2.650 N/A SER 601.A N CYS 598.A O no hydrogen 2.674 N/A LYS 602.A NZ LYS 602.A O no hydrogen 3.291 N/A HIS 604.A N SER 601.A OG no hydrogen 2.793 N/A PHE 605.A N SER 601.A O no hydrogen 2.899 N/A TRP 607.A N HIS 604.A O no hydrogen 3.099 N/A LEU 608.A N HIS 604.A O no hydrogen 3.281 N/A ILE 609.A N PHE 605.A O no hydrogen 2.844 N/A TYR 611.A N LEU 608.A O no hydrogen 2.710 N/A SER 612.A N LEU 608.A O no hydrogen 2.712 N/A SER 612.A OG HIS 615.A ND1 no hydrogen 2.695 N/A LEU 614.A N MET 578.A O no hydrogen 3.294 N/A HIS 615.A N SER 612.A O no hydrogen 2.928 N/A HIS 615.A ND1 SER 612.A OG no hydrogen 2.695 N/A ASN 616.A N PRO 613.A O no hydrogen 3.234 N/A ASN 616.A ND2 ILE 609.A O no hydrogen 3.198 N/A ASN 616.A ND2 SER 612.A O no hydrogen 2.782 N/A LYS 618.A N TYR 627.A OH no hydrogen 3.208 N/A ILE 625.A N ALA 622.A O no hydrogen 3.408 N/A TYR 627.A N GLN 663.A OE1 no hydrogen 2.993 N/A TYR 627.A OH LYS 618.A O no hydrogen 3.337 N/A SER 629.A OG ASN 665.A OD1 no hydrogen 3.122 N/A MET 630.A N PRO 666.A O no hydrogen 2.839 N/A LEU 631.A N VAL 571.A O no hydrogen 2.935 N/A LEU 632.A N LEU 668.A O no hydrogen 3.117 N/A LEU 633.A N ALA 573.A O no hydrogen 2.961 N/A THR 634.A N HIS 670.A O no hydrogen 3.068 N/A THR 634.A OG1 ALA 635.A O no hydrogen 3.421 N/A ASP 636.A N ASP 672.A O no hydrogen 2.882 N/A HIS 637.A N ALA 675.A O no hydrogen 3.080 N/A HIS 637.A ND1 ASP 636.A OD1 no hydrogen 2.882 N/A ARG 640.A N ASP 638.A OD1 no hydrogen 3.026 N/A ARG 640.A NE ASP 146.A OD2 no hydrogen 3.021 N/A ARG 640.A NH2 ASP 146.A OD1 no hydrogen 3.480 N/A VAL 641.A N ASP 638.A OD1 no hydrogen 2.875 N/A HIS 645.A N VAL 642.A O no hydrogen 3.336 N/A LEU 647.A N PRO 643.A O no hydrogen 2.908 N/A LYS 648.A N LEU 644.A O no hydrogen 3.020 N/A LYS 648.A NZ ASP 23.A OD1 no hydrogen 3.130 N/A LYS 648.A NZ ASP 23.A OD2 no hydrogen 2.218 N/A LYS 648.A NZ GLU 29.A OE2 no hydrogen 3.032 N/A LYS 648.A NZ ASP 579.A OD2 no hydrogen 2.962 N/A PHE 649.A N HIS 645.A O no hydrogen 2.959 N/A ILE 650.A N SER 646.A O no hydrogen 2.829 N/A ALA 651.A N LEU 647.A O no hydrogen 3.290 N/A THR 652.A N LYS 648.A O no hydrogen 3.193 N/A THR 652.A OG1 LYS 648.A O no hydrogen 3.158 N/A LEU 653.A N PHE 649.A O no hydrogen 3.184 N/A GLN 654.A N ILE 650.A O no hydrogen 3.146 N/A GLN 654.A NE2 GLN 43.A OE1 no hydrogen 2.762 N/A GLN 654.A NE2 LEU 667.A O no hydrogen 3.189 N/A TYR 655.A N ALA 651.A O no hydrogen 3.234 N/A ILE 656.A N THR 652.A O no hydrogen 2.952 N/A VAL 657.A N LEU 653.A O no hydrogen 3.026 N/A GLY 658.A N LEU 653.A O no hydrogen 2.554 N/A SER 660.A OG VAL 657.A O no hydrogen 3.100 N/A LYS 662.A NZ PRO 620.A O no hydrogen 3.168 N/A LYS 662.A NZ ASP 623.A O no hydrogen 3.351 N/A LYS 662.A NZ ILE 625.A O no hydrogen 2.936 N/A GLN 663.A NE2 TYR 627.A O no hydrogen 2.903 N/A GLN 663.A NE2 ASN 665.A O no hydrogen 3.177 N/A ASN 664.A N GLN 626.A OE1 no hydrogen 3.196 N/A ASN 665.A N GLN 626.A OE1 no hydrogen 2.987 N/A ASN 665.A ND2 TYR 627.A O no hydrogen 3.154 N/A LEU 667.A N TYR 3.A OH no hydrogen 2.896 N/A LEU 668.A N MET 630.A O no hydrogen 2.900 N/A HIS 670.A N LEU 632.A O no hydrogen 2.973 N/A VAL 671.A N ASN 44.A OD1 no hydrogen 2.845 N/A ASP 672.A N THR 634.A O no hydrogen 2.748 N/A THR 673.A N ASP 672.A OD1 no hydrogen 2.834 N/A LYS 674.A N ASP 636.A OD1 no hydrogen 3.125 N/A LYS 674.A NZ ASP 119.A OD2 no hydrogen 3.012 N/A HIS 677.A ND1 ASP 638.A OD2 no hydrogen 3.270 N/A LYS 681.A N GLY 678.A O no hydrogen 3.353 N/A LYS 681.A NZ GLU 689.A OE1 no hydrogen 2.906 N/A THR 683.A N ASN 93.A O no hydrogen 3.094 N/A THR 683.A OG1 GLN 92.A O no hydrogen 2.610 N/A THR 683.A OG1 ASN 93.A O no hydrogen 2.928 N/A ALA 684.A N ASN 93.A OD1 no hydrogen 3.452 N/A LYS 685.A NZ ASP 672.A OD2 no hydrogen 3.408 N/A LYS 685.A NZ THR 673.A O no hydrogen 3.043 N/A VAL 686.A N PRO 682.A O no hydrogen 3.004 N/A ILE 687.A N THR 683.A O no hydrogen 2.960 N/A GLU 688.A N ALA 684.A O no hydrogen 3.133 N/A GLU 689.A N LYS 685.A O no hydrogen 2.976 N/A GLU 689.A N VAL 686.A O no hydrogen 3.043 N/A VAL 690.A N VAL 686.A O no hydrogen 3.251 N/A SER 691.A N ILE 687.A O no hydrogen 3.139 N/A SER 691.A OG ILE 687.A O no hydrogen 3.284 N/A ASP 692.A N GLU 689.A O no hydrogen 2.929 N/A MET 693.A N GLU 689.A O no hydrogen 3.057 N/A PHE 694.A N VAL 690.A O no hydrogen 3.005 N/A ALA 695.A N SER 691.A O no hydrogen 2.944 N/A PHE 696.A N ASP 692.A O no hydrogen 2.685 N/A ILE 697.A N MET 693.A O no hydrogen 3.455 N/A ALA 698.A N PHE 694.A O no hydrogen 3.142 N/A ARG 699.A N ALA 695.A O no hydrogen 2.961 N/A CYS 700.A N PHE 696.A O no hydrogen 2.839 N/A CYS 700.A SG SER 629.A OG no hydrogen 3.199 N/A LEU 701.A N ILE 697.A O no hydrogen 2.774 N/A ILE 703.A N ALA 698.A O no hydrogen 2.867 N/A ILE 706.A N HIS 491.A O no hydrogen 2.927 N/A