Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rcg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N GLY 1.A O no hydrogen 3.021 N/A THR 7.A N ALA 5.A O no hydrogen 2.828 N/A HIS 9.A N THR 7.A OG1 no hydrogen 3.128 N/A HIS 9.A NE2 GLY 167.A O no hydrogen 2.540 N/A LEU 12.A N HIS 9.A ND1 no hydrogen 3.170 N/A LEU 13.A N HIS 9.A O no hydrogen 2.914 N/A SER 14.A N GLN 10.A O no hydrogen 2.665 N/A TRP 15.A N GLY 11.A O no hydrogen 3.127 N/A VAL 16.A N LEU 12.A O no hydrogen 2.998 N/A GLU 17.A N LEU 13.A O no hydrogen 3.341 N/A GLU 18.A N SER 14.A O no hydrogen 2.861 N/A VAL 19.A N TRP 15.A O no hydrogen 2.868 N/A ALA 20.A N VAL 16.A O no hydrogen 2.870 N/A GLU 21.A N GLU 17.A O no hydrogen 2.804 N/A LEU 22.A N GLU 18.A O no hydrogen 3.202 N/A THR 23.A N VAL 19.A O no hydrogen 2.852 N/A THR 23.A N ALA 20.A O no hydrogen 3.106 N/A THR 23.A OG1 VAL 19.A O no hydrogen 3.065 N/A GLN 24.A N ALA 20.A O no hydrogen 2.769 N/A ASP 26.A N ARG 116.A O no hydrogen 3.034 N/A VAL 29.A N MET 118.A O no hydrogen 2.887 N/A THR 31.A N VAL 120.A O no hydrogen 2.966 N/A THR 31.A OG1 VAL 120.A O no hydrogen 3.202 N/A ASP 32.A N GLU 37.A OE1 no hydrogen 3.265 N/A ASP 32.A N GLU 37.A OE2 no hydrogen 2.596 N/A GLY 33.A N GLU 37.A OE1 no hydrogen 2.947 N/A SER 34.A N ASP 32.A OD1 no hydrogen 2.795 N/A SER 34.A OG ASP 32.A OD1 no hydrogen 2.559 N/A GLU 37.A N SER 34.A OG no hydrogen 3.017 N/A PHE 38.A N SER 34.A O no hydrogen 2.944 N/A GLN 39.A N GLU 35.A O no hydrogen 3.160 N/A GLN 39.A NE2 ASN 61.A OD1 no hydrogen 2.486 N/A GLN 39.A NE2 TYR 63.A OH no hydrogen 3.476 N/A ARG 40.A N GLU 36.A O no hydrogen 3.215 N/A LEU 41.A N GLU 37.A O no hydrogen 2.951 N/A CYS 42.A N PHE 38.A O no hydrogen 2.990 N/A CYS 42.A SG PHE 38.A O no hydrogen 3.339 N/A ASP 43.A N GLN 39.A O no hydrogen 2.850 N/A GLN 44.A N ARG 40.A O no hydrogen 2.718 N/A LEU 45.A N LEU 41.A O no hydrogen 2.852 N/A VAL 46.A N CYS 42.A O no hydrogen 2.729 N/A GLU 47.A N ASP 43.A O no hydrogen 2.847 N/A ALA 48.A N GLN 44.A O no hydrogen 2.854 N/A GLY 49.A N VAL 46.A O no hydrogen 3.232 N/A THR 50.A N LEU 45.A O no hydrogen 2.978 N/A THR 50.A OG1 ALA 188.A O no hydrogen 2.585 N/A PHE 51.A N LEU 45.A O no hydrogen 3.138 N/A ILE 52.A N LEU 64.A O no hydrogen 2.800 N/A ARG 53.A NH1 ASP 43.A OD1 no hydrogen 3.543 N/A ARG 53.A NH2 ASP 43.A OD1 no hydrogen 3.046 N/A LEU 54.A N SER 62.A O no hydrogen 3.018 N/A ASN 55.A N GLY 345.A O no hydrogen 2.959 N/A ASN 55.A ND2 ASP 344.A O no hydrogen 3.398 N/A HIS 59.A N ASN 55.A O no hydrogen 3.120 N/A ASN 61.A ND2 ASN 333.A OD1 no hydrogen 2.576 N/A SER 62.A OG LYS 60.A O no hydrogen 2.665 N/A TYR 63.A N THR 334.A O no hydrogen 2.834 N/A LEU 64.A N ILE 52.A O no hydrogen 3.005 N/A ALA 65.A N PHE 336.A O no hydrogen 2.763 N/A SER 67.A N ASN 338.A OD1 no hydrogen 2.875 N/A SER 67.A OG ASP 68.A O no hydrogen 3.488 N/A SER 67.A OG ASP 71.A O no hydrogen 3.311 N/A SER 70.A N ASP 68.A OD1 no hydrogen 2.790 N/A SER 70.A OG ASP 68.A OD1 no hydrogen 2.864 N/A ARG 78.A N VAL 75.A O no hydrogen 2.987 N/A THR 79.A N GLU 76.A O no hydrogen 3.197 N/A THR 79.A OG1 VAL 75.A O no hydrogen 2.684 N/A TYR 80.A N ILE 197.A O no hydrogen 2.790 N/A ILE 81.A N ASN 94.A O no hydrogen 2.811 N/A CYS 82.A N HIS 199.A O no hydrogen 2.921 N/A CYS 82.A SG MET 96.A O no hydrogen 3.542 N/A SER 83.A OG LYS 85.A O no hydrogen 2.823 N/A ALA 84.A N GLU 202.A OE1 no hydrogen 2.839 N/A ASP 88.A N LYS 85.A O no hydrogen 3.329 N/A ALA 89.A N GLU 86.A O no hydrogen 3.213 N/A GLY 90.A N GLU 86.A O no hydrogen 3.141 N/A ASN 93.A N GLY 90.A O no hydrogen 3.041 N/A ASN 93.A ND2 LEU 456.A O no hydrogen 3.386 N/A TRP 95.A NE1 SER 83.A O no hydrogen 2.799 N/A GLU 100.A N ASP 97.A OD2 no hydrogen 2.793 N/A MET 101.A N ASP 97.A O no hydrogen 3.123 N/A ARG 102.A N PRO 98.A O no hydrogen 2.884 N/A SER 103.A N GLY 99.A O no hydrogen 3.145 N/A ILE 104.A N GLU 100.A O no hydrogen 3.216 N/A MET 105.A N MET 101.A O no hydrogen 2.984 N/A LYS 106.A N ARG 102.A O no hydrogen 2.880 N/A LEU 108.A N ILE 104.A O no hydrogen 3.148 N/A TYR 109.A N MET 105.A O no hydrogen 2.710 N/A TYR 109.A OH SER 208.A O no hydrogen 2.970 N/A ARG 110.A N LYS 106.A O no hydrogen 3.246 N/A GLY 111.A N LEU 22.A O no hydrogen 2.913 N/A CYS 112.A N TYR 109.A O no hydrogen 2.883 N/A CYS 112.A SG TYR 109.A O no hydrogen 3.064 N/A CYS 112.A SG SER 175.A OG no hydrogen 3.328 N/A MET 113.A N THR 23.A O no hydrogen 2.919 N/A ARG 114.A NH1 GLU 181.A OE1 no hydrogen 3.232 N/A ARG 114.A NH2 GLU 181.A OE1 no hydrogen 3.271 N/A ARG 116.A NE ALA 178.A O no hydrogen 3.185 N/A ARG 116.A NH1 ASP 186.A OD2 no hydrogen 2.688 N/A ARG 116.A NH2 ALA 178.A O no hydrogen 2.605 N/A ARG 116.A NH2 ASP 186.A OD1 no hydrogen 3.124 N/A MET 118.A N ARG 27.A O no hydrogen 2.809 N/A TYR 119.A N THR 140.A O no hydrogen 2.955 N/A TYR 119.A OH GLU 143.A OE1 no hydrogen 2.369 N/A VAL 120.A N VAL 29.A O no hydrogen 2.694 N/A VAL 121.A N GLU 138.A O no hydrogen 2.820 N/A PHE 123.A N GLY 136.A O no hydrogen 2.729 N/A CYS 124.A N ARG 154.A O no hydrogen 2.842 N/A CYS 124.A SG MET 125.A O no hydrogen 3.805 N/A CYS 124.A SG GLY 126.A O no hydrogen 3.480 N/A MET 125.A N LYS 134.A O no hydrogen 2.882 N/A GLY 126.A N PRO 306.A O no hydrogen 2.863 N/A LYS 134.A NZ GLU 236.A OE1 no hydrogen 2.774 N/A LYS 134.A NZ GLU 236.A OE2 no hydrogen 2.653 N/A GLY 136.A N PHE 123.A O no hydrogen 2.789 N/A VAL 137.A N VAL 170.A O no hydrogen 2.988 N/A GLU 138.A N VAL 121.A O no hydrogen 2.819 N/A ILE 139.A N ALA 172.A O no hydrogen 2.982 N/A THR 140.A N TYR 119.A O no hydrogen 3.022 N/A THR 140.A OG1 HIS 174.A ND1 no hydrogen 2.762 N/A SER 142.A N THR 140.A OG1 no hydrogen 2.826 N/A TYR 144.A OH THR 337.A OG1 no hydrogen 2.531 N/A VAL 145.A N SER 142.A OG no hydrogen 2.910 N/A VAL 146.A N SER 142.A O no hydrogen 3.097 N/A VAL 147.A N GLU 143.A O no hydrogen 2.845 N/A SER 148.A N TYR 144.A O no hydrogen 2.998 N/A SER 148.A OG TYR 144.A O no hydrogen 2.959 N/A MET 149.A N VAL 145.A O no hydrogen 2.817 N/A ARG 150.A N VAL 146.A O no hydrogen 3.053 N/A ARG 150.A N VAL 147.A O no hydrogen 3.061 N/A ARG 150.A NE GLY 33.A O no hydrogen 3.057 N/A ARG 150.A NH2 GLY 33.A O no hydrogen 2.834 N/A MET 152.A N SER 148.A O no hydrogen 3.099 N/A THR 153.A N MET 149.A O no hydrogen 2.945 N/A THR 153.A OG1 MET 149.A O no hydrogen 2.717 N/A ARG 154.A NH2 ASP 398.A OD1 no hydrogen 2.774 N/A GLY 156.A N PRO 122.A O no hydrogen 2.913 N/A LYS 157.A N ASP 32.A O no hydrogen 2.813 N/A LEU 160.A N GLY 156.A O no hydrogen 2.955 N/A GLU 161.A N LYS 157.A O no hydrogen 2.992 N/A LYS 162.A N ALA 158.A O no hydrogen 3.052 N/A LYS 162.A NZ LEU 128.A O no hydrogen 3.459 N/A MET 163.A N LEU 160.A O no hydrogen 3.055 N/A GLY 164.A N GLU 161.A O no hydrogen 3.049 N/A GLY 167.A N MET 163.A O no hydrogen 2.710 N/A VAL 170.A N LEU 135.A O no hydrogen 2.924 N/A ALA 172.A N VAL 137.A O no hydrogen 3.011 N/A LEU 173.A N ILE 206.A O no hydrogen 2.837 N/A HIS 174.A N ILE 139.A O no hydrogen 2.826 N/A HIS 174.A ND1 THR 140.A OG1 no hydrogen 2.762 N/A HIS 174.A NE2 SER 211.A O no hydrogen 2.618 N/A SER 175.A N SER 208.A O no hydrogen 3.039 N/A SER 175.A OG ASP 141.A OD2 no hydrogen 2.659 N/A VAL 176.A N ASP 141.A OD1 no hydrogen 3.055 N/A GLY 177.A N SER 175.A OG no hydrogen 3.188 N/A LEU 180.A N ARG 114.A O no hydrogen 2.593 N/A GLU 181.A N GLN 184.A OE1 no hydrogen 2.939 N/A GLN 184.A N GLU 181.A O no hydrogen 2.885 N/A VAL 187.A N ASP 186.A OD1 no hydrogen 2.750 N/A TRP 189.A NE1 ASP 71.A OD1 no hydrogen 2.778 N/A CYS 191.A SG SER 70.A OG no hydrogen 3.583 N/A CYS 191.A SG ASP 71.A OD1 no hydrogen 3.920 N/A CYS 191.A SG TRP 189.A O no hydrogen 3.950 N/A SER 192.A N GLY 210.A O no hydrogen 2.958 N/A SER 192.A OG THR 194.A O no hydrogen 3.210 N/A THR 194.A N SER 192.A OG no hydrogen 2.643 N/A LYS 195.A NZ SER 192.A O no hydrogen 2.697 N/A TYR 196.A N TYR 209.A O no hydrogen 2.924 N/A ILE 197.A N ARG 78.A O no hydrogen 2.952 N/A THR 198.A N TRP 207.A O no hydrogen 2.975 N/A HIS 199.A N TYR 80.A O no hydrogen 3.007 N/A PHE 200.A N GLU 205.A O no hydrogen 2.685 N/A GLU 202.A N GLU 202.A OE2 no hydrogen 2.564 N/A THR 203.A OG1 GLU 205.A OE2 no hydrogen 3.286 N/A ARG 204.A N PRO 201.A O no hydrogen 3.188 N/A ARG 204.A NE PRO 201.A O no hydrogen 3.296 N/A GLU 205.A N PHE 200.A O no hydrogen 3.107 N/A ILE 206.A N LYS 171.A O no hydrogen 3.159 N/A TRP 207.A N THR 198.A O no hydrogen 2.798 N/A SER 208.A N LEU 173.A O no hydrogen 2.579 N/A SER 208.A OG ASN 216.A O no hydrogen 2.645 N/A TYR 209.A N TYR 196.A O no hydrogen 2.933 N/A GLY 210.A N SER 175.A O no hydrogen 2.832 N/A SER 211.A OG ASP 71.A OD2 no hydrogen 2.739 N/A GLY 212.A N ASP 71.A OD2 no hydrogen 2.630 N/A TYR 213.A N SER 211.A OG no hydrogen 2.918 N/A ASN 216.A N TYR 213.A O no hydrogen 2.985 N/A ASN 216.A ND2 ALA 73.A O no hydrogen 2.550 N/A ASN 216.A ND2 SER 211.A OG no hydrogen 3.145 N/A ALA 217.A N GLY 214.A O no hydrogen 2.723 N/A LEU 218.A N GLY 214.A O no hydrogen 2.639 N/A LEU 219.A N GLU 138.A OE1 no hydrogen 3.043 N/A LYS 221.A N LEU 218.A O no hydrogen 3.413 N/A LYS 221.A NZ ASP 289.A OD2 no hydrogen 2.643 N/A LYS 221.A NZ GLU 307.A OE1 no hydrogen 2.622 N/A LYS 221.A NZ GLU 307.A OE2 no hydrogen 2.775 N/A LYS 222.A NZ HIS 242.A NE2 no hydrogen 3.204 N/A LYS 222.A NZ ASP 289.A OD2 no hydrogen 2.755 N/A CYS 223.A SG GLY 215.A O no hydrogen 3.586 N/A TYR 224.A N LEU 219.A O no hydrogen 2.883 N/A TYR 224.A OH LEU 135.A O no hydrogen 2.837 N/A SER 225.A N GLY 220.A O no hydrogen 3.018 N/A SER 225.A OG LYS 221.A O no hydrogen 2.767 N/A LEU 226.A N LYS 222.A O no hydrogen 3.246 N/A ARG 227.A N LYS 222.A O no hydrogen 3.101 N/A ARG 227.A NE PRO 454.A O no hydrogen 3.072 N/A ARG 227.A NH2 PRO 454.A O no hydrogen 2.804 N/A ILE 228.A N CYS 223.A O no hydrogen 3.013 N/A ALA 229.A N TYR 224.A O no hydrogen 2.943 N/A SER 230.A N LEU 226.A O no hydrogen 2.770 N/A SER 230.A OG LEU 226.A O no hydrogen 2.677 N/A SER 230.A OG ARG 227.A O no hydrogen 2.778 N/A ALA 231.A N ARG 227.A O no hydrogen 3.466 N/A MET 232.A N ILE 228.A O no hydrogen 2.894 N/A ALA 233.A N ALA 229.A O no hydrogen 2.703 N/A HIS 234.A N SER 230.A O no hydrogen 2.949 N/A ASP 235.A N ALA 231.A O no hydrogen 3.172 N/A GLU 236.A N MET 232.A O no hydrogen 2.868 N/A GLU 236.A N ALA 233.A O no hydrogen 3.262 N/A GLY 237.A N ALA 233.A O no hydrogen 2.972 N/A TRP 238.A N ALA 233.A O no hydrogen 3.058 N/A TRP 238.A NE1 GLU 236.A OE1 no hydrogen 2.921 N/A LEU 239.A N MET 293.A O no hydrogen 2.986 N/A GLU 241.A N ALA 291.A O no hydrogen 2.857 N/A HIS 242.A ND1 ALA 451.A O no hydrogen 2.728 N/A HIS 242.A NE2 ASP 289.A OD1 no hydrogen 2.944 N/A MET 243.A N GLU 241.A O no hydrogen 2.929 N/A LEU 244.A N ALA 260.A O no hydrogen 2.963 N/A ILE 245.A N GLY 287.A O no hydrogen 3.023 N/A LEU 246.A N PHE 258.A O no hydrogen 2.789 N/A LYS 247.A N GLU 284.A O no hydrogen 2.862 N/A LYS 247.A NZ GLU 284.A OE1 no hydrogen 2.884 N/A LYS 247.A NZ GLU 396.A OE2 no hydrogen 2.441 N/A LEU 248.A N TYR 256.A O no hydrogen 2.746 N/A ILE 249.A N ARG 282.A O no hydrogen 2.772 N/A SER 250.A N LYS 254.A O no hydrogen 2.945 N/A LYS 254.A N SER 250.A OG no hydrogen 3.163 N/A TYR 256.A N LEU 248.A O no hydrogen 2.694 N/A TYR 256.A OH GLU 516.A OE2 no hydrogen 2.679 N/A PHE 258.A N LEU 246.A O no hydrogen 2.783 N/A ALA 259.A N GLY 407.A O no hydrogen 3.124 N/A ALA 260.A N LEU 244.A O no hydrogen 3.092 N/A ALA 261.A N LEU 409.A O no hydrogen 2.937 N/A CYS 266.A N PRO 263.A O no hydrogen 3.151 N/A CYS 266.A SG SER 264.A O no hydrogen 3.722 N/A LYS 268.A NZ ASP 288.A O no hydrogen 3.342 N/A LYS 268.A NZ ASP 289.A O no hydrogen 3.026 N/A LYS 268.A NZ ASP 289.A OD1 no hydrogen 2.328 N/A LEU 271.A N GLY 267.A O no hydrogen 2.990 N/A ALA 272.A N LYS 268.A O no hydrogen 3.000 N/A MET 273.A N ASN 270.A O no hydrogen 3.170 N/A LEU 274.A N LEU 271.A O no hydrogen 3.250 N/A THR 277.A N SER 505.A OG no hydrogen 3.327 N/A THR 277.A OG1 GLY 502.A O no hydrogen 3.562 N/A THR 277.A OG1 GLU 503.A OE1 no hydrogen 2.691 N/A THR 277.A OG1 SER 505.A OG no hydrogen 3.328 N/A TRP 281.A N ILE 278.A O no hydrogen 3.041 N/A ARG 282.A N ILE 249.A O no hydrogen 2.909 N/A GLU 284.A N LYS 247.A O no hydrogen 2.888 N/A THR 285.A N ILE 392.A O no hydrogen 3.090 N/A THR 285.A OG1 ALA 272.A O no hydrogen 2.972 N/A LEU 286.A N ILE 245.A O no hydrogen 2.953 N/A GLY 287.A N ILE 245.A O no hydrogen 3.379 N/A ALA 291.A N GLU 241.A O no hydrogen 2.860 N/A TRP 292.A N VAL 304.A O no hydrogen 2.840 N/A TRP 292.A NE1 SER 225.A O no hydrogen 2.925 N/A MET 293.A N LEU 239.A O no hydrogen 2.969 N/A ARG 294.A N TYR 302.A O no hydrogen 3.029 N/A GLY 296.A N ARG 300.A O no hydrogen 2.475 N/A TYR 302.A N ARG 294.A O no hydrogen 2.691 N/A ALA 303.A N VAL 403.A O no hydrogen 2.873 N/A VAL 304.A N TRP 292.A O no hydrogen 2.875 N/A ASN 305.A ND2 LEU 286.A O no hydrogen 2.811 N/A GLU 307.A N ASN 305.A OD1 no hydrogen 2.687 N/A PHE 308.A N MET 152.A O no hydrogen 2.812 N/A PHE 310.A N THR 385.A O no hydrogen 2.814 N/A ALA 314.A N SER 381.A O no hydrogen 2.739 N/A GLY 316.A N GLU 350.A O no hydrogen 3.139 N/A THR 317.A N ALA 314.A O no hydrogen 2.934 N/A THR 317.A OG1 VAL 313.A O no hydrogen 3.005 N/A THR 317.A OG1 ALA 314.A O no hydrogen 2.867 N/A TRP 319.A N GLU 353.A OE2 no hydrogen 2.750 N/A SER 321.A OG GLY 316.A O no hydrogen 3.252 N/A SER 321.A OG ASN 318.A OD1 no hydrogen 2.695 N/A ASN 322.A N ASN 318.A O no hydrogen 2.618 N/A ALA 325.A N ASN 322.A OD1 no hydrogen 2.818 N/A MET 326.A N ASN 322.A O no hydrogen 3.022 N/A ARG 327.A N PRO 323.A O no hydrogen 2.780 N/A THR 328.A N ASN 324.A O no hydrogen 3.110 N/A THR 328.A OG1 ASN 324.A O no hydrogen 2.720 N/A ILE 329.A N ALA 325.A O no hydrogen 3.326 N/A ALA 330.A N MET 326.A O no hydrogen 3.032 N/A ALA 331.A N ARG 327.A O no hydrogen 3.209 N/A GLY 332.A N ILE 329.A O no hydrogen 2.882 N/A ASN 333.A N LYS 60.A O no hydrogen 2.750 N/A ASN 333.A ND2 GLN 389.A OE1 no hydrogen 2.765 N/A THR 334.A N SER 62.A OG no hydrogen 3.305 N/A THR 334.A OG1 GLY 332.A O no hydrogen 2.704 N/A THR 334.A OG1 THR 385.A OG1 no hydrogen 3.306 N/A VAL 335.A N CYS 384.A O no hydrogen 3.111 N/A PHE 336.A N TYR 63.A O no hydrogen 2.806 N/A THR 337.A N ARG 382.A O no hydrogen 2.950 N/A THR 337.A OG1 TYR 144.A OH no hydrogen 2.531 N/A ASN 338.A N ALA 65.A O no hydrogen 2.868 N/A ASN 338.A ND2 SER 67.A OG no hydrogen 2.817 N/A ALA 340.A N TRP 348.A O no hydrogen 2.931 N/A LEU 341.A N ILE 360.A O no hydrogen 2.999 N/A THR 342.A N ASP 346.A O no hydrogen 2.653 N/A THR 342.A OG1 ASP 344.A OD1 no hydrogen 3.467 N/A GLY 345.A N THR 342.A O no hydrogen 2.836 N/A ASP 346.A N THR 342.A OG1 no hydrogen 2.854 N/A TRP 348.A N ALA 340.A O no hydrogen 2.877 N/A TRP 349.A NE1 THR 317.A O no hydrogen 3.007 N/A GLU 350.A N GLU 350.A OE1 no hydrogen 2.753 N/A LEU 352.A N TRP 349.A O no hydrogen 2.796 N/A GLU 353.A N GLU 353.A OE1 no hydrogen 2.937 N/A HIS 358.A ND1 ASP 343.A OD1 no hydrogen 2.636 N/A HIS 358.A NE2 ASP 366.A OD1 no hydrogen 2.856 N/A LEU 359.A N TRP 367.A O no hydrogen 3.025 N/A ILE 360.A N LEU 341.A O no hydrogen 3.162 N/A ASP 361.A N ASN 365.A O no hydrogen 2.753 N/A TRP 362.A N ALA 376.A O no hydrogen 3.208 N/A GLY 364.A N ASP 361.A O no hydrogen 2.808 N/A ASN 365.A N ASP 361.A OD1 no hydrogen 2.797 N/A TRP 367.A N LEU 359.A O no hydrogen 2.760 N/A TRP 367.A NE1 THR 374.A O no hydrogen 3.126 N/A TYR 368.A N THR 372.A OG1 no hydrogen 2.660 N/A PHE 369.A N GLN 357.A O no hydrogen 3.123 N/A GLU 371.A N TYR 368.A O no hydrogen 2.922 N/A THR 372.A N TYR 368.A O no hydrogen 2.804 N/A THR 372.A OG1 TYR 368.A O no hydrogen 3.342 N/A ALA 376.A N GLU 350.A OE2 no hydrogen 2.564 N/A ALA 377.A N GLU 350.A OE1 no hydrogen 2.953 N/A HIS 378.A N ASN 338.A O no hydrogen 2.725 N/A ASN 380.A N HIS 378.A ND1 no hydrogen 2.892 N/A SER 381.A N HIS 378.A O no hydrogen 3.030 N/A SER 381.A OG HIS 378.A O no hydrogen 2.791 N/A ARG 382.A N THR 337.A O no hydrogen 2.890 N/A ARG 382.A NH1 PHE 311.A O no hydrogen 2.900 N/A TYR 383.A N GLY 312.A O no hydrogen 2.820 N/A CYS 384.A N VAL 335.A O no hydrogen 2.991 N/A THR 385.A N PHE 310.A O no hydrogen 2.960 N/A THR 385.A OG1 THR 334.A OG1 no hydrogen 3.306 N/A MET 387.A N PHE 308.A O no hydrogen 3.197 N/A GLN 389.A N PRO 386.A O no hydrogen 3.232 N/A GLN 389.A NE2 THR 328.A O no hydrogen 2.866 N/A GLN 389.A NE2 GLY 332.A O no hydrogen 2.897 N/A CYS 390.A N MET 387.A O no hydrogen 2.859 N/A CYS 390.A SG THR 328.A OG1 no hydrogen 3.705 N/A LEU 393.A N CYS 390.A O no hydrogen 3.175 N/A ALA 394.A N THR 285.A O no hydrogen 2.794 N/A TRP 397.A N ALA 394.A O no hydrogen 3.036 N/A ASP 399.A N GLU 396.A O no hydrogen 3.047 N/A GLN 401.A N ASP 399.A OD1 no hydrogen 3.430 N/A GLN 401.A N GLN 401.A OE1 no hydrogen 2.431 N/A GLN 401.A NE2 ASP 399.A OD2 no hydrogen 3.032 N/A GLY 402.A N ASP 399.A O no hydrogen 3.064 N/A VAL 403.A N ALA 303.A O no hydrogen 3.021 N/A ILE 405.A N LEU 301.A O no hydrogen 2.930 N/A SER 406.A N TYR 257.A O no hydrogen 2.943 N/A ILE 408.A N LYS 481.A O no hydrogen 2.860 N/A LEU 409.A N ALA 259.A O no hydrogen 2.609 N/A PHE 410.A N PHE 483.A O no hydrogen 3.060 N/A GLY 411.A N ALA 261.A O no hydrogen 3.383 N/A ARG 413.A N SER 439.A OG no hydrogen 2.618 N/A ARG 413.A NE ALA 265.A O no hydrogen 3.015 N/A ARG 413.A NH2 ALA 265.A O no hydrogen 2.899 N/A ARG 414.A N ASN 486.A OD1 no hydrogen 3.342 N/A ARG 414.A NE GLU 440.A OE2 no hydrogen 3.331 N/A ARG 414.A NH1 GLU 561.A OE2 no hydrogen 3.061 N/A ARG 414.A NH2 GLU 561.A OE1 no hydrogen 3.063 N/A LYS 415.A N GLU 440.A OE2 no hydrogen 2.938 N/A THR 416.A OG1 THR 417.A OG1 no hydrogen 2.597 N/A THR 417.A OG1 THR 416.A OG1 no hydrogen 2.597 N/A LEU 420.A N ALA 550.A O no hydrogen 3.230 N/A THR 422.A N PHE 484.A O no hydrogen 2.956 N/A GLU 423.A N THR 528.A O no hydrogen 2.774 N/A ALA 424.A N VAL 482.A O no hydrogen 2.831 N/A ARG 425.A N HIS 429.A ND1 no hydrogen 2.930 N/A ARG 425.A NH1 THR 524.A O no hydrogen 3.435 N/A TRP 427.A NE1 TRP 467.A O no hydrogen 2.910 N/A HIS 429.A N ASP 426.A OD1 no hydrogen 2.657 N/A GLY 430.A N ASP 426.A O no hydrogen 2.747 N/A VAL 431.A N TRP 427.A O no hydrogen 3.003 N/A PHE 432.A N GLN 428.A O no hydrogen 3.391 N/A ILE 433.A N HIS 429.A O no hydrogen 3.066 N/A GLY 434.A N GLY 430.A O no hydrogen 3.014 N/A ALA 435.A N VAL 431.A O no hydrogen 2.695 N/A THR 436.A N ILE 433.A O no hydrogen 3.299 N/A THR 436.A OG1 PHE 432.A O no hydrogen 3.125 N/A LEU 437.A N GLY 434.A O no hydrogen 3.169 N/A SER 439.A N ARG 446.A O no hydrogen 2.733 N/A GLU 440.A N ARG 413.A O no hydrogen 2.901 N/A ARG 446.A N SER 439.A O no hydrogen 2.940 N/A ARG 446.A NH1 THR 442.A O no hydrogen 3.520 N/A ARG 447.A NH1 THR 436.A O no hydrogen 2.791 N/A ARG 447.A NH1 GLU 561.A OE2 no hydrogen 3.445 N/A ARG 447.A NH2 GLU 561.A OE2 no hydrogen 2.742 N/A ASP 448.A N LEU 437.A O no hydrogen 2.772 N/A MET 450.A N GLY 434.A O no hydrogen 3.020 N/A ALA 451.A N ASP 448.A O no hydrogen 2.963 N/A MET 452.A N PRO 449.A O no hydrogen 2.771 N/A LEU 453.A N ASP 448.A OD1 no hydrogen 2.852 N/A PHE 455.A N MET 452.A O no hydrogen 2.821 N/A LEU 456.A N MET 452.A O no hydrogen 3.218 N/A GLY 457.A N SER 230.A OG no hydrogen 3.141 N/A ASN 459.A ND2 ILE 87.A O no hydrogen 3.127 N/A ASP 462.A N ASN 459.A OD1 no hydrogen 3.111 N/A TYR 463.A N ASN 459.A O no hydrogen 3.004 N/A TYR 463.A OH GLU 241.A OE1 no hydrogen 2.736 N/A TYR 463.A OH GLU 241.A OE2 no hydrogen 3.277 N/A PHE 464.A N VAL 460.A O no hydrogen 2.880 N/A GLN 465.A N GLY 461.A O no hydrogen 3.054 N/A GLN 465.A NE2 GLN 465.A O no hydrogen 3.505 N/A GLN 465.A NE2 ASN 469.A OD1 no hydrogen 2.824 N/A HIS 466.A N ASP 462.A O no hydrogen 2.891 N/A HIS 466.A NE2 TRP 238.A O no hydrogen 2.880 N/A TRP 467.A N TYR 463.A O no hydrogen 3.114 N/A TRP 467.A NE1 GLU 241.A OE2 no hydrogen 2.945 N/A ILE 468.A N PHE 464.A O no hydrogen 2.917 N/A ASN 469.A N GLN 465.A O no hydrogen 2.784 N/A LEU 470.A N HIS 466.A O no hydrogen 3.131 N/A GLY 471.A N TRP 467.A O no hydrogen 3.372 N/A LYS 472.A N ILE 468.A O no hydrogen 2.829 N/A HIS 473.A N ASN 469.A O no hydrogen 3.229 N/A ALA 477.A N ASP 475.A OD1 no hydrogen 2.741 N/A LYS 478.A N ASP 475.A O no hydrogen 2.652 N/A LEU 479.A N GLU 476.A O no hydrogen 3.369 N/A LYS 481.A N SER 406.A O no hydrogen 2.956 N/A PHE 483.A N ILE 408.A O no hydrogen 3.005 N/A PHE 484.A N THR 422.A O no hydrogen 2.824 N/A VAL 485.A N PHE 410.A O no hydrogen 2.998 N/A ASN 486.A N LEU 420.A O no hydrogen 3.038 N/A ASN 486.A ND2 ARG 414.A O no hydrogen 2.895 N/A ASN 486.A ND2 VAL 418.A O no hydrogen 2.877 N/A PHE 488.A N ASN 486.A OD1 no hydrogen 3.071 N/A ARG 489.A NH1 ALA 550.A O no hydrogen 2.801 N/A ARG 489.A NH1 ALA 552.A O no hydrogen 2.697 N/A ARG 489.A NH2 ALA 552.A O no hydrogen 3.292 N/A ARG 490.A N LYS 415.A O no hydrogen 2.932 N/A ARG 490.A NH1 GLY 494.A O no hydrogen 2.994 N/A GLY 491.A N ARG 495.A O no hydrogen 2.789 N/A GLY 494.A N GLY 491.A O no hydrogen 2.575 N/A LEU 497.A N ARG 489.A O no hydrogen 3.117 N/A TRP 498.A NE1 ASN 504.A OD1 no hydrogen 2.548 N/A GLU 503.A N GLY 500.A O no hydrogen 3.035 N/A ASN 504.A N PHE 501.A O no hydrogen 2.764 N/A SER 505.A N GLY 502.A O no hydrogen 3.108 N/A SER 505.A OG GLY 502.A O no hydrogen 2.843 N/A ARG 506.A N GLU 503.A O no hydrogen 2.910 N/A ARG 506.A NE GLU 503.A OE1 no hydrogen 2.520 N/A ARG 506.A NH1 ASP 536.A O no hydrogen 2.793 N/A ARG 506.A NH1 ASP 538.A O no hydrogen 2.870 N/A ARG 506.A NH2 GLU 503.A OE1 no hydrogen 3.270 N/A ARG 506.A NH2 ASP 538.A O no hydrogen 3.438 N/A VAL 507.A N ASN 504.A O no hydrogen 2.888 N/A LEU 508.A N ASN 504.A O no hydrogen 3.132 N/A LYS 509.A N SER 505.A O no hydrogen 2.796 N/A LYS 509.A NZ ASP 513.A OD1 no hydrogen 2.977 N/A LYS 509.A NZ ASP 513.A OD2 no hydrogen 2.877 N/A TRP 510.A N ARG 506.A O no hydrogen 3.115 N/A TRP 510.A NE1 GLY 520.A O no hydrogen 2.984 N/A ILE 511.A N VAL 507.A O no hydrogen 3.052 N/A VAL 512.A N LEU 508.A O no hydrogen 2.854 N/A ASP 513.A N LYS 509.A O no hydrogen 2.788 N/A ARG 514.A N TRP 510.A O no hydrogen 2.949 N/A ARG 514.A NE GLU 423.A OE1 no hydrogen 2.762 N/A ARG 514.A NH1 ALA 519.A O no hydrogen 2.893 N/A ARG 514.A NH2 GLU 423.A OE1 no hydrogen 3.517 N/A ILE 515.A N ILE 511.A O no hydrogen 3.156 N/A GLU 516.A N VAL 512.A O no hydrogen 2.802 N/A LYS 518.A N ASP 513.A O no hydrogen 2.704 N/A ALA 522.A N VAL 529.A O no hydrogen 3.251 N/A THR 524.A N GLY 527.A O no hydrogen 2.806 N/A THR 524.A OG1 GLY 527.A O no hydrogen 2.922 N/A ILE 526.A N THR 524.A OG1 no hydrogen 3.262 N/A GLY 527.A N THR 524.A O no hydrogen 3.067 N/A THR 528.A N GLU 423.A O no hydrogen 3.182 N/A VAL 529.A N ALA 522.A O no hydrogen 2.982 N/A ALA 531.A N ASP 534.A OD2 no hydrogen 2.791 N/A ASP 534.A N ALA 531.A O no hydrogen 2.870 N/A LEU 535.A N VAL 532.A O no hydrogen 3.105 N/A ASP 538.A N ASP 536.A OD1 no hydrogen 2.837 N/A LEU 540.A N LEU 537.A O no hydrogen 2.871 N/A VAL 542.A N LEU 540.A O no hydrogen 2.843 N/A ALA 545.A N ASP 543.A OD1 no hydrogen 2.859 N/A VAL 547.A N ASP 543.A O no hydrogen 3.365 N/A ALA 548.A N ALA 544.A O no hydrogen 3.171 N/A ALA 549.A N ALA 545.A O no hydrogen 2.977 N/A ALA 549.A N ASP 546.A O no hydrogen 3.130 N/A ALA 550.A N ASP 546.A O no hydrogen 2.970 N/A LEU 551.A N VAL 547.A O no hydrogen 3.089 N/A ALA 552.A N ALA 549.A O no hydrogen 2.930 N/A GLU 557.A N ASP 554.A OD1 no hydrogen 3.111 N/A TRP 558.A N ASP 554.A O no hydrogen 3.135 N/A ARG 559.A N ALA 555.A O no hydrogen 2.866 N/A GLN 560.A N ASP 556.A O no hydrogen 3.128 N/A GLU 561.A N GLU 557.A O no hydrogen 3.097 N/A GLU 561.A N TRP 558.A O no hydrogen 3.070 N/A LEU 562.A N TRP 558.A O no hydrogen 3.263 N/A LEU 562.A N ARG 559.A O no hydrogen 3.119 N/A ILE 565.A N GLU 561.A O no hydrogen 3.051 N/A GLU 566.A N LEU 562.A O no hydrogen 2.892 N/A GLU 567.A N PRO 563.A O no hydrogen 2.832 N/A TRP 568.A N LEU 564.A O no hydrogen 3.092 N/A TRP 568.A NE1 ALA 435.A O no hydrogen 2.974 N/A LEU 569.A N ILE 565.A O no hydrogen 2.779 N/A GLN 570.A N GLU 566.A O no hydrogen 2.878 N/A PHE 571.A N GLU 567.A O no hydrogen 2.834 N/A VAL 572.A N TRP 568.A O no hydrogen 3.070 N/A GLY 573.A N GLN 570.A O no hydrogen 3.065 N/A LEU 576.A N GLY 573.A O no hydrogen 2.925 N/A LYS 581.A N PRO 577.A O no hydrogen 3.262 N/A ASP 582.A N THR 578.A O no hydrogen 2.636 N/A GLU 583.A N GLY 579.A O no hydrogen 2.978 N/A PHE 584.A N VAL 580.A O no hydrogen 2.965 N/A ASP 585.A N LYS 581.A O no hydrogen 2.781 N/A ALA 586.A N ASP 582.A O no hydrogen 2.788 N/A LEU 587.A N GLU 583.A O no hydrogen 2.942 N/A LYS 588.A N PHE 584.A O no hydrogen 3.097 N/A GLU 589.A N ASP 585.A O no hydrogen 2.812 N/A ARG 590.A N ALA 586.A O no hydrogen 2.983 N/A ARG 590.A NE PRO 525.A O no hydrogen 2.965 N/A ARG 590.A NH2 PRO 525.A O no hydrogen 2.393 N/A LEU 591.A N LEU 587.A O no hydrogen 3.071 N/A GLY 592.A N LYS 588.A O no hydrogen 2.973 N/A