Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ezr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 113.A OD2 no hydrogen 3.065 N/A SER 1.A OG TYR 3.A O no hydrogen 3.196 N/A SER 1.A OG GLN 111.A O no hydrogen 3.041 N/A TYR 3.A N SER 1.A OG no hydrogen 3.026 N/A ARG 4.A N HIS 24.A O no hydrogen 3.390 N/A ARG 4.A NH1.B ASP 6.A OD2 no hydrogen 3.407 N/A VAL 5.A N ASP 113.A O no hydrogen 2.934 N/A ASP 6.A N THR 22.A O no hydrogen 2.838 N/A VAL 8.A N GLY 20.A O no hydrogen 2.932 N/A VAL 9.A N VAL 118.A O no hydrogen 3.456 N/A LEU 10.A N ARG 18.A O no hydrogen 2.770 N/A SER 11.A N ARG 18.A O no hydrogen 3.201 N/A GLN 13.A N.A ASN 16.A O no hydrogen 3.069 N/A GLN 13.A N.B ASN 16.A O no hydrogen 3.076 N/A GLN 15.A N ASN 85.A OD1 no hydrogen 3.238 N/A ASN 16.A N GLN 13.A O.A no hydrogen 3.102 N/A ASN 16.A N GLN 13.A O.B no hydrogen 3.256 N/A CYS 17.A N ILE 82.A O no hydrogen 2.988 N/A CYS 17.A SG SER 84.A O no hydrogen 3.297 N/A ARG 18.A N SER 11.A O no hydrogen 3.032 N/A ARG 18.A NH1 GLU 79.A OE2 no hydrogen 2.602 N/A PHE 19.A N PHE 80.A O no hydrogen 2.835 N/A GLY 20.A N VAL 8.A O no hydrogen 2.939 N/A LEU 21.A N CYS 78.A O no hydrogen 2.741 N/A THR 22.A N ASP 6.A O no hydrogen 2.861 N/A PHE 23.A N TYR 76.A O no hydrogen 2.836 N/A HIS 24.A N ARG 4.A O no hydrogen 2.817 N/A HIS 24.A ND1 HIS 75.A ND1 no hydrogen 3.165 N/A HIS 24.A NE2 ASP 6.A OD2 no hydrogen 3.077 N/A ASN 25.A N HIS 74.A O no hydrogen 3.102 N/A ASN 25.A ND2 GLN 29.A O no hydrogen 3.312 N/A ASN 25.A ND2 LEU 70.A O no hydrogen 3.006 N/A ASN 25.A ND2 ALA 71.A O no hydrogen 3.150 N/A LEU 26.A N GLU 2.A O no hydrogen 2.979 N/A SER 27.A N ASN 25.A OD1 no hydrogen 3.171 N/A SER 27.A OG ASN 25.A OD1 no hydrogen 2.713 N/A SER 27.A OG GLN 29.A O no hydrogen 2.772 N/A LEU 31.A N LEU 70.A O no hydrogen 2.845 N/A SER 33.A N ILE 68.A O no hydrogen 2.928 N/A GLY 35.A N ASP 100.A O no hydrogen 2.812 N/A LEU 36.A N LEU 63.A O no hydrogen 3.072 N/A THR 37.A N MET 98.A O no hydrogen 2.947 N/A PHE 38.A N CYS 61.A O no hydrogen 2.892 N/A ALA 39.A N GLU 96.A O no hydrogen 3.095 N/A PHE 40.A N SER 59.A O no hydrogen 2.942 N/A ARG 42.A NH2 ASP 92.A OD1 no hydrogen 3.467 N/A ILE 44.A N GLN 56.A OE1 no hydrogen 2.913 N/A LEU 45.A N SER 81.A O no hydrogen 2.922 N/A SER 48.A N LEU 45.A O no hydrogen 3.107 N/A SER 48.A OG LEU 45.A O no hydrogen 2.378 N/A SER 48.A OG SER 81.A O no hydrogen 3.393 N/A SER 50.A N GLU 79.A O no hydrogen 3.002 N/A SER 50.A OG GLU 79.A O no hydrogen 3.497 N/A ASN 51.A ND2 TYR 77.A O no hydrogen 3.312 N/A GLN 53.A N LYS 64.A O no hydrogen 2.767 N/A THR 55.A N THR 62.A O no hydrogen 3.021 N/A GLN 56.A NE2 ARG 42.A O no hydrogen 2.882 N/A GLN 56.A NE2 GLY 58.A O no hydrogen 2.950 N/A ILE 57.A N PHE 60.A O no hydrogen 2.976 N/A SER 59.A N GLN 330.A OE1 no hydrogen 2.705 N/A SER 59.A OG GLN 330.A OE1 no hydrogen 2.697 N/A PHE 60.A N ILE 57.A O no hydrogen 3.075 N/A CYS 61.A N PHE 38.A O no hydrogen 2.836 N/A CYS 61.A SG SER 59.A O no hydrogen 3.547 N/A THR 62.A N THR 55.A O no hydrogen 2.913 N/A LEU 63.A N LEU 36.A O no hydrogen 2.641 N/A LYS 64.A N GLN 53.A O no hydrogen 2.797 N/A LEU 70.A N LEU 31.A O no hydrogen 2.875 N/A ALA 72.A N ASP 30.A OD1 no hydrogen 3.155 N/A HIS 74.A N ALA 71.A O no hydrogen 3.180 N/A HIS 74.A ND1 ALA 72.A O no hydrogen 3.077 N/A HIS 75.A ND1 HIS 24.A ND1 no hydrogen 3.165 N/A TYR 76.A N PHE 23.A O no hydrogen 2.834 N/A TYR 76.A OH ASN 51.A O no hydrogen 2.506 N/A TYR 77.A OH GLU 79.A OE1 no hydrogen 2.585 N/A CYS 78.A N LEU 21.A O no hydrogen 2.835 N/A CYS 78.A SG GLU 79.A O no hydrogen 3.539 N/A GLU 79.A N SER 50.A OG no hydrogen 2.924 N/A PHE 80.A N PHE 19.A O no hydrogen 3.200 N/A SER 81.A N SER 48.A OG no hydrogen 3.017 N/A SER 81.A OG CYS 17.A O no hydrogen 3.483 N/A ILE 82.A N CYS 17.A O no hydrogen 2.944 N/A SER 84.A OG ASN 85.A O no hydrogen 2.710 N/A ARG 88.A NH2 SER 121.A O no hydrogen 2.786 N/A TYR 89.A N ASP 92.A OD2 no hydrogen 3.032 N/A TYR 89.A OH ASP 533.A O no hydrogen 2.588 N/A TYR 90.A N PRO 536.A O no hydrogen 3.019 N/A SER 91.A OG GLY 540.A O no hydrogen 3.376 N/A ASP 92.A N TYR 89.A O no hydrogen 3.207 N/A GLY 93.A N TYR 90.A O no hydrogen 3.239 N/A ASN 95.A N ALA 39.A O no hydrogen 3.199 N/A MET 98.A N THR 37.A O no hydrogen 2.852 N/A ILE 99.A N ALA 110.A O no hydrogen 2.786 N/A ASP 100.A N GLY 35.A O no hydrogen 3.077 N/A PHE 101.A N GLN 108.A O no hydrogen 3.015 N/A VAL 102.A N ASN 32.A O no hydrogen 3.036 N/A VAL 103.A N GLN 106.A O no hydrogen 3.288 N/A GLN 106.A NE2 GLY 105.A O no hydrogen 3.440 N/A GLN 108.A N PHE 101.A O no hydrogen 2.636 N/A ARG 109.A NH1 ASP 324.A OD2 no hydrogen 3.111 N/A ARG 109.A NH2 ASP 324.A OD1 no hydrogen 3.055 N/A ALA 110.A N ILE 99.A O no hydrogen 3.125 N/A VAL 112.A N ALA 97.A O no hydrogen 2.961 N/A ASP 113.A N TYR 3.A O no hydrogen 2.861 N/A THR 115.A N VAL 5.A O no hydrogen 3.138 N/A THR 115.A OG1 ASP 6.A OD1 no hydrogen 2.430 N/A VAL 118.A N LEU 7.A O no hydrogen 3.348 N/A SER 121.A OG GLU 12.A OE1 no hydrogen 2.843 N/A GLU 125.A N GLU 125.A OE1 no hydrogen 2.936 N/A ARG 126.A NH2 TYR 123.A O no hydrogen 2.987 N/A ARG 126.A NH2 GLU 125.A O no hydrogen 2.635 N/A SER 127.A N ASP 533.A OD1 no hydrogen 2.981 N/A SER 127.A OG ASP 533.A OD1 no hydrogen 3.209 N/A SER 132.A OG LEU 133.A O no hydrogen 2.766 N/A HIS 135.A N SER 618.A O no hydrogen 3.123 N/A GLN 137.A N HIS 135.A ND1 no hydrogen 3.282 N/A LEU 139.A N GLN 137.A O no hydrogen 2.920 N/A LEU 140.A N GLN 236.A OE1 no hydrogen 2.854 N/A LYS 142.A N GLU 602.A OE2 no hydrogen 3.092 N/A LYS 142.A NZ ASP 615.A OD2 no hydrogen 3.430 N/A ASN 144.A N ASP 256.A OD1 no hydrogen 2.883 N/A ASN 144.A ND2 TRP 605.A O no hydrogen 3.629 N/A GLU 147.A N SER 253.A O no hydrogen 3.008 N/A SER 149.A N CYS 251.A O no hydrogen 2.842 N/A SER 152.A OG GLU 248.A OE2 no hydrogen 3.250 N/A PHE 153.A N ALA 249.A O no hydrogen 2.787 N/A PHE 155.A N MET 247.A O no hydrogen 2.989 N/A GLN 158.A N ASP 156.A OD1 no hydrogen 2.903 N/A ALA 159.A N ASP 156.A O no hydrogen 3.438 N/A VAL 161.A N SER 188.A O no hydrogen 3.129 N/A ALA 162.A N ILE 195.A O no hydrogen 2.664 N/A TYR 164.A N PHE 197.A O no hydrogen 2.929 N/A TYR 164.A OH ASN 191.A O no hydrogen 3.208 N/A LEU 167.A N THR 165.A OG1 no hydrogen 3.393 N/A ALA 168.A N THR 165.A O no hydrogen 3.254 N/A ASN 169.A N ASP 166.A O no hydrogen 3.079 N/A LYS 172.A N ALA 168.A O no hydrogen 3.015 N/A ALA 173.A N ASN 169.A O no hydrogen 3.138 N/A TRP 174.A N SER 170.A O no hydrogen 2.885 N/A TRP 174.A NE1 ASN 284.A OD1 no hydrogen 2.840 N/A LEU 175.A N ALA 171.A O no hydrogen 2.888 N/A LEU 176.A N LYS 172.A O no hydrogen 3.205 N/A GLU 177.A N ALA 173.A O no hydrogen 3.044 N/A GLU 178.A N TRP 174.A O no hydrogen 2.932 N/A LEU 179.A N LEU 175.A O no hydrogen 2.981 N/A GLN 180.A N LEU 176.A O no hydrogen 2.983 N/A ARG 181.A N GLU 177.A O no hydrogen 2.824 N/A ARG 181.A NE GLU 178.A OE2 no hydrogen 2.994 N/A ARG 181.A NH2 GLU 178.A OE1 no hydrogen 2.776 N/A ARG 181.A NH2 GLN 630.A OE1 no hydrogen 3.034 N/A ILE 182.A N GLU 178.A O no hydrogen 2.873 N/A HIS 183.A N LEU 179.A O no hydrogen 3.184 N/A GLN 184.A N GLN 180.A O no hydrogen 2.989 N/A GLN 184.A NE2 ILE 182.A O no hydrogen 3.305 N/A PHE 185.A N LEU 179.A O no hydrogen 3.028 N/A THR 186.A N GLU 157.A OE1 no hydrogen 2.735 N/A THR 186.A OG1 GLU 157.A OE1 no hydrogen 3.303 N/A THR 186.A OG1 GLN 180.A OE1 no hydrogen 2.680 N/A SER 190.A N VAL 161.A O no hydrogen 2.854 N/A SER 192.A N SER 190.A OG no hydrogen 3.170 N/A GLY 193.A N SER 190.A O no hydrogen 3.257 N/A LYS 194.A N ALA 159.A O no hydrogen 2.871 N/A LYS 194.A NZ GLU 215.A OE2 no hydrogen 2.788 N/A ILE 195.A N GLY 160.A O no hydrogen 3.044 N/A ILE 196.A N ILE 217.A O no hydrogen 2.739 N/A PHE 197.A N ALA 162.A O no hydrogen 2.812 N/A LYS 198.A N ILE 219.A O no hydrogen 2.838 N/A ASN 200.A N ALA 221.A O no hydrogen 2.951 N/A ASN 200.A ND2 GLU 220.A OE1 no hydrogen 2.774 N/A THR 202.A N ASN 200.A OD1 no hydrogen 3.340 N/A THR 202.A OG1 ASN 200.A OD1 no hydrogen 2.708 N/A LEU 203.A N ASN 200.A O no hydrogen 3.366 N/A GLY 206.A N SER 223.A OG no hydrogen 3.044 N/A ALA 207.A N ASP 204.A O no hydrogen 2.821 N/A TYR 208.A N ASP 256.A O no hydrogen 2.976 N/A TYR 208.A OH ASP 256.A OD2 no hydrogen 2.766 N/A LYS 209.A N GLU 220.A O no hydrogen 2.893 N/A LEU 210.A N ILE 254.A O no hydrogen 2.891 N/A LYS 211.A N LYS 218.A O no hydrogen 2.941 N/A VAL 212.A N CYS 252.A O no hydrogen 2.936 N/A SER 213.A N SER 216.A O no hydrogen 2.795 N/A ILE 217.A N LYS 194.A O no hydrogen 2.992 N/A LYS 218.A N LYS 211.A O no hydrogen 2.917 N/A ILE 219.A N ILE 196.A O no hydrogen 2.741 N/A GLU 220.A N LYS 209.A O no hydrogen 2.932 N/A ALA 221.A N LYS 198.A O no hydrogen 3.382 N/A SER 223.A OG SER 225.A OG no hydrogen 3.356 N/A SER 224.A OG LEU 167.A O no hydrogen 3.343 N/A SER 225.A OG GLU 205.A OE1 no hydrogen 2.652 N/A SER 225.A OG SER 223.A OG no hydrogen 3.356 N/A GLY 226.A N SER 223.A OG no hydrogen 2.976 N/A PHE 227.A N SER 223.A O no hydrogen 3.291 N/A THR 228.A N SER 224.A O no hydrogen 3.076 N/A THR 228.A OG1 SER 224.A O no hydrogen 3.106 N/A HIS 229.A N SER 225.A O no hydrogen 2.977 N/A HIS 229.A ND1 GLY 206.A O no hydrogen 2.710 N/A ALA 230.A N GLY 226.A O no hydrogen 3.244 N/A CYS 231.A N PHE 227.A O no hydrogen 3.157 N/A CYS 231.A SG ALA 171.A O no hydrogen 3.583 N/A CYS 231.A SG PHE 227.A O no hydrogen 3.412 N/A ALA 232.A N THR 228.A O no hydrogen 3.127 N/A THR 233.A N HIS 229.A O no hydrogen 3.000 N/A THR 233.A OG1 TYR 208.A OH no hydrogen 2.508 N/A THR 233.A OG1 HIS 229.A O no hydrogen 3.195 N/A LEU 234.A N ALA 230.A O no hydrogen 2.942 N/A LEU 235.A N CYS 231.A O no hydrogen 3.014 N/A GLN 236.A NE2 LEU 140.A O no hydrogen 2.977 N/A LEU 237.A N THR 233.A O no hydrogen 2.955 N/A LEU 238.A N LEU 234.A O no hydrogen 3.088 N/A LYS 239.A N GLU 248.A O no hydrogen 2.883 N/A LYS 239.A NZ ALA 136.A O no hydrogen 2.858 N/A ASP 241.A N THR 246.A O no hydrogen 2.843 N/A THR 244.A OG1 THR 246.A OG1 no hydrogen 3.312 N/A THR 246.A OG1 THR 244.A OG1 no hydrogen 3.312 N/A MET 247.A N PHE 155.A O no hydrogen 3.018 N/A GLU 248.A N LYS 239.A O no hydrogen 2.833 N/A ALA 249.A N PHE 153.A O no hydrogen 2.968 N/A CYS 251.A N HIS 151.A O no hydrogen 2.966 N/A CYS 252.A N VAL 212.A O no hydrogen 3.254 N/A CYS 252.A SG VAL 250.A O no hydrogen 3.261 N/A SER 253.A N GLU 147.A O no hydrogen 2.870 N/A ILE 254.A N LEU 210.A O no hydrogen 2.867 N/A ILE 255.A N HIS 145.A O no hydrogen 3.064 N/A ASP 256.A N TYR 208.A O no hydrogen 3.061 N/A ARG 259.A N TRP 605.A O no hydrogen 2.916 N/A ARG 259.A NH1 PRO 557.A O no hydrogen 2.840 N/A ARG 259.A NH2 PRO 557.A O no hydrogen 3.251 N/A PHE 260.A N CYS 604.A O no hydrogen 3.168 N/A TYR 262.A N TRP 572.A O no hydrogen 3.093 N/A TYR 262.A OH TYR 500.A OH no hydrogen 2.688 N/A TYR 262.A OH GLN 575.A OE1 no hydrogen 2.540 N/A ARG 263.A N ASN 292.A OD1 no hydrogen 3.068 N/A ARG 263.A NE LYS 290.A O no hydrogen 2.906 N/A ARG 263.A NH1 PHE 260.A O no hydrogen 2.892 N/A ARG 263.A NH2 LYS 290.A O no hydrogen 2.857 N/A GLY 264.A N ILE 574.A O no hydrogen 3.051 N/A MET 265.A N THR 293.A O no hydrogen 3.122 N/A MET 266.A N THR 576.A O no hydrogen 2.812 N/A LEU 267.A N HIS 295.A O no hydrogen 3.069 N/A ASP 268.A N LEU 578.A O no hydrogen 3.091 N/A CYS 269.A N HIS 297.A O no hydrogen 3.030 N/A CYS 269.A SG TYR 342.A OH no hydrogen 3.067 N/A ALA 270.A N ASP 268.A OD1 no hydrogen 3.182 N/A ARG 271.A N ASP 268.A OD1 no hydrogen 3.003 N/A ARG 271.A NE GLU 302.A OE1 no hydrogen 2.753 N/A ARG 271.A NH1 ASP 268.A OD2 no hydrogen 3.210 N/A HIS 272.A ND1 CYS 580.A O no hydrogen 2.697 N/A HIS 272.A NE2 THR 332.A OG1 no hydrogen 2.655 N/A PHE 273.A N TYR 338.A OH no hydrogen 2.926 N/A HIS 274.A NE2 ASP 268.A O no hydrogen 2.941 N/A GLU 277.A N GLU 277.A OE2 no hydrogen 2.871 N/A GLN 278.A N SER 275.A OG no hydrogen 3.359 N/A VAL 279.A N SER 275.A O no hydrogen 3.048 N/A LYS 280.A N VAL 276.A O no hydrogen 3.001 N/A LYS 280.A NZ ASP 349.A OD2 no hydrogen 2.664 N/A ARG 281.A N GLU 277.A O no hydrogen 3.152 N/A ARG 281.A NH1 ASP 590.A OD1 no hydrogen 2.927 N/A ARG 281.A NH2 ASP 590.A OD1 no hydrogen 3.553 N/A ARG 281.A NH2 ASP 590.A OD2 no hydrogen 2.745 N/A LEU 282.A N GLN 278.A O no hydrogen 2.892 N/A ILE 283.A N VAL 279.A O no hydrogen 2.736 N/A ASN 284.A N LYS 280.A O no hydrogen 2.996 N/A ASN 284.A ND2 GLU 178.A OE1 no hydrogen 2.734 N/A LEU 285.A N ARG 281.A O no hydrogen 3.284 N/A LEU 286.A N LEU 282.A O no hydrogen 2.999 N/A ALA 287.A N ILE 283.A O no hydrogen 3.347 N/A HIS 288.A N ASN 284.A O no hydrogen 3.254 N/A HIS 288.A NE2 GLU 178.A OE1 no hydrogen 2.804 N/A TYR 289.A N LEU 286.A O no hydrogen 3.119 N/A TYR 289.A OH HIS 623.A NE2 no hydrogen 2.553 N/A LYS 290.A N ALA 287.A O no hydrogen 3.298 N/A LYS 290.A NZ THR 233.A OG1 no hydrogen 2.715 N/A LEU 291.A N LEU 286.A O no hydrogen 3.184 N/A ASN 292.A N ARG 263.A O no hydrogen 2.858 N/A ASN 292.A ND2 ARG 261.A O no hydrogen 2.642 N/A THR 293.A N ARG 263.A O no hydrogen 3.387 N/A THR 293.A OG1 ASN 292.A OD1 no hydrogen 2.814 N/A PHE 294.A N THR 360.A O no hydrogen 2.810 N/A HIS 295.A N MET 265.A O no hydrogen 2.922 N/A HIS 295.A NE2 GLU 364.A OE1 no hydrogen 2.703 N/A TRP 296.A N ILE 362.A O no hydrogen 2.973 N/A HIS 297.A N LEU 267.A O no hydrogen 3.108 N/A HIS 297.A ND1 GLU 364.A OE1 no hydrogen 3.030 N/A HIS 297.A NE2 ASP 300.A OD2 no hydrogen 2.715 N/A ASP 300.A N GLY 303.A O no hydrogen 2.964 N/A ASP 301.A N ASP 300.A OD1 no hydrogen 2.898 N/A TRP 304.A N GLY 318.A O no hydrogen 2.904 N/A TRP 304.A NE1 VAL 306.A O no hydrogen 2.772 N/A ARG 305.A N LEU 298.A O no hydrogen 2.884 N/A ARG 305.A NE CYS 269.A O no hydrogen 2.907 N/A ARG 305.A NH1 GLY 340.A O no hydrogen 2.950 N/A ARG 305.A NH2 ALA 270.A O no hydrogen 2.961 N/A GLU 307.A N TYR 342.A O no hydrogen 3.152 N/A LYS 309.A N GLU 419.A OE1 no hydrogen 2.765 N/A SER 310.A N GLU 419.A OE2 no hydrogen 2.955 N/A SER 310.A OG GLU 419.A OE2 no hydrogen 2.721 N/A LEU 311.A N ILE 308.A O no hydrogen 3.129 N/A GLN 313.A N GLN 313.A OE1 no hydrogen 2.841 N/A LEU 314.A N LEU 311.A O no hydrogen 3.177 N/A THR 315.A N PRO 312.A O no hydrogen 3.396 N/A THR 315.A OG1 PRO 312.A O no hydrogen 3.121 N/A GLU 316.A N PRO 312.A O no hydrogen 2.994 N/A ILE 317.A N GLN 313.A O no hydrogen 2.803 N/A GLY 318.A N GLN 313.A O no hydrogen 3.234 N/A ALA 319.A N THR 315.A O no hydrogen 3.372 N/A TRP 320.A N ILE 317.A O no hydrogen 3.150 N/A ARG 321.A N TYR 338.A O no hydrogen 2.752 N/A ARG 321.A NH1 ARG 271.A O no hydrogen 2.856 N/A ARG 321.A NH1 GLU 302.A O no hydrogen 2.789 N/A ARG 321.A NH2 ARG 271.A O no hydrogen 2.862 N/A ARG 321.A NH2 GLN 330.A O no hydrogen 3.051 N/A GLY 322.A N ILE 327.A O no hydrogen 2.933 N/A GLU 325.A N GLY 322.A O no hydrogen 3.222 N/A GLU 328.A N GLU 328.A OE1 no hydrogen 2.901 N/A GLN 330.A NE2 ILE 57.A O no hydrogen 2.989 N/A TYR 331.A N SER 59.A OG no hydrogen 2.713 N/A THR 332.A N GLN 330.A O no hydrogen 2.842 N/A THR 332.A OG1 HIS 272.A NE2 no hydrogen 2.655 N/A THR 332.A OG1 HIS 333.A ND1 no hydrogen 2.968 N/A HIS 333.A ND1 THR 332.A OG1 no hydrogen 2.968 N/A LEU 334.A N GLU 96.A OE1 no hydrogen 3.469 N/A SER 335.A N GLN 336.A OE1 no hydrogen 3.253 N/A GLN 336.A N HIS 333.A O no hydrogen 3.368 N/A ARG 337.A NE GLU 325.A OE1 no hydrogen 3.496 N/A TYR 338.A N ARG 321.A O no hydrogen 2.732 N/A GLY 340.A N ALA 319.A O no hydrogen 2.938 N/A TYR 342.A N ARG 305.A O no hydrogen 2.634 N/A TYR 342.A OH HIS 274.A O no hydrogen 2.580 N/A THR 343.A N GLU 346.A OE1 no hydrogen 2.753 N/A GLN 344.A N GLU 307.A OE1 no hydrogen 2.988 N/A GLN 344.A NE2 GLU 307.A O no hydrogen 2.750 N/A GLN 344.A NE2 GLU 419.A OE1 no hydrogen 2.928 N/A GLU 346.A N THR 343.A OG1 no hydrogen 3.050 N/A ILE 347.A N THR 343.A O no hydrogen 2.920 N/A ARG 348.A N GLN 344.A O no hydrogen 2.962 N/A ASP 349.A N GLU 345.A O no hydrogen 3.045 N/A VAL 350.A N GLU 346.A O no hydrogen 2.857 N/A ILE 351.A N ILE 347.A O no hydrogen 2.847 N/A ALA 352.A N ARG 348.A O no hydrogen 2.976 N/A PHE 353.A N ASP 349.A O no hydrogen 3.009 N/A ALA 354.A N VAL 350.A O no hydrogen 2.863 N/A GLU 355.A N ILE 351.A O no hydrogen 3.024 N/A GLN 356.A N ALA 352.A O no hydrogen 3.299 N/A ARG 357.A N ALA 354.A O no hydrogen 3.065 N/A ARG 357.A NE ASN 284.A OD1 no hydrogen 2.704 N/A ARG 357.A NH1 PHE 353.A O no hydrogen 3.184 N/A ARG 357.A NH2 GLU 177.A OE1 no hydrogen 2.628 N/A ARG 357.A NH2 ASN 284.A OD1 no hydrogen 3.521 N/A GLY 358.A N GLU 355.A O no hydrogen 3.305 N/A ILE 359.A N ALA 354.A O no hydrogen 2.935 N/A THR 360.A N ASN 292.A O no hydrogen 2.930 N/A ILE 362.A N PHE 294.A O no hydrogen 2.798 N/A GLU 364.A N TRP 296.A O no hydrogen 3.010 N/A ILE 365.A N HIS 430.A O no hydrogen 2.800 N/A ASP 366.A N THR 299.A OG1 no hydrogen 3.273 N/A VAL 367.A N ILE 431.A O no hydrogen 2.936 N/A HIS 370.A ND1 ASP 300.A OD1 no hydrogen 2.647 N/A CYS 371.A N ASN 400.A O no hydrogen 3.076 N/A CYS 371.A SG ASP 366.A O no hydrogen 3.082 N/A ARG 372.A N ASP 301.A OD1 no hydrogen 3.163 N/A ARG 372.A NE ASP 399.A OD1 no hydrogen 3.018 N/A ARG 372.A NE ASP 399.A OD2 no hydrogen 3.363 N/A ARG 372.A NH1 GLU 328.A OE1 no hydrogen 3.028 N/A ARG 372.A NH2 GLU 328.A OE1 no hydrogen 3.196 N/A ARG 372.A NH2 ASP 399.A OD2 no hydrogen 3.260 N/A ILE 375.A N CYS 371.A O no hydrogen 2.999 N/A LYS 376.A N ARG 372.A O no hydrogen 2.858 N/A LYS 376.A NZ THR 326.A O no hydrogen 2.657 N/A LYS 376.A NZ GLU 328.A OE1 no hydrogen 3.269 N/A SER 377.A N ALA 373.A O no hydrogen 3.078 N/A SER 377.A N ALA 374.A O no hydrogen 3.014 N/A SER 377.A OG GLN 313.A O no hydrogen 3.472 N/A SER 377.A OG ALA 373.A O no hydrogen 2.703 N/A LEU 378.A N ALA 374.A O no hydrogen 2.948 N/A LEU 381.A N LEU 378.A O no hydrogen 3.179 N/A LEU 382.A N LEU 378.A O no hydrogen 2.881 N/A ILE 383.A N PRO 379.A O no hydrogen 3.004 N/A ASP 387.A N GLU 384.A O no hydrogen 3.289 N/A THR 388.A N LYS 443.A O no hydrogen 3.438 N/A THR 389.A N ASP 387.A OD1 no hydrogen 3.332 N/A THR 389.A OG1 ASP 387.A OD1 no hydrogen 2.638 N/A SER 393.A N TYR 397.A O no hydrogen 2.772 N/A GLN 395.A N SER 393.A OG no hydrogen 3.267 N/A HIS 396.A N SER 393.A O no hydrogen 2.879 N/A TYR 397.A N SER 393.A OG no hydrogen 3.243 N/A TYR 397.A OH GLU 302.A OE2 no hydrogen 3.345 N/A ASN 400.A ND2 ASP 301.A OD1 no hydrogen 3.321 N/A VAL 401.A N TYR 391.A OH no hydrogen 3.388 N/A ILE 402.A N PRO 368.A O no hydrogen 2.745 N/A ALA 405.A N ASN 403.A OD1 no hydrogen 2.958 N/A SER 409.A N LEU 406.A O no hydrogen 3.144 N/A SER 409.A OG ASN 403.A O no hydrogen 2.462 N/A TYR 410.A N PRO 407.A O no hydrogen 3.205 N/A TYR 410.A OH PRO 404.A O no hydrogen 2.701 N/A GLU 411.A N PRO 407.A O no hydrogen 3.066 N/A PHE 412.A N GLY 408.A O no hydrogen 2.785 N/A ILE 413.A N SER 409.A O no hydrogen 3.130 N/A ASP 414.A N TYR 410.A O no hydrogen 3.064 N/A LYS 415.A N GLU 411.A O no hydrogen 3.145 N/A LYS 415.A NZ GLU 411.A OE2 no hydrogen 3.308 N/A VAL 416.A N PHE 412.A O no hydrogen 2.963 N/A LEU 417.A N ILE 413.A O no hydrogen 2.802 N/A GLU 418.A N ASP 414.A O no hydrogen 2.873 N/A GLU 419.A N LYS 415.A O no hydrogen 3.337 N/A ILE 420.A N VAL 416.A O no hydrogen 2.932 N/A ALA 421.A N LEU 417.A O no hydrogen 2.979 N/A ALA 422.A N GLU 418.A O no hydrogen 3.202 N/A LEU 423.A N GLU 419.A O no hydrogen 3.048 N/A PHE 424.A N ILE 420.A O no hydrogen 2.961 N/A VAL 429.A N ARG 480.A O no hydrogen 3.200 N/A HIS 430.A N PRO 363.A O no hydrogen 2.955 N/A ILE 431.A N LEU 482.A O no hydrogen 2.826 N/A GLY 432.A N HIS 430.A ND1 no hydrogen 3.329 N/A ALA 433.A N VAL 367.A O no hydrogen 3.052 N/A GLU 435.A N GLU 486.A OE1 no hydrogen 2.973 N/A VAL 436.A N GLN 463.A OE1 no hydrogen 3.230 N/A VAL 440.A N PRO 437.A O no hydrogen 3.320 N/A TRP 441.A NE1 ILE 402.A O no hydrogen 3.093 N/A SER 442.A OG GLY 439.A O no hydrogen 2.872 N/A LYS 443.A N THR 389.A OG1 no hydrogen 2.940 N/A SER 444.A N TRP 441.A O no hydrogen 3.297 N/A SER 444.A OG GLU 384.A OE2 no hydrogen 2.604 N/A ALA 446.A N GLU 384.A OE1 no hydrogen 2.998 N/A CYS 447.A N SER 444.A OG no hydrogen 3.112 N/A CYS 447.A SG ASN 403.A OD1 no hydrogen 3.335 N/A CYS 447.A SG SER 444.A OG no hydrogen 3.335 N/A GLN 448.A N SER 444.A O no hydrogen 2.930 N/A GLN 448.A NE2 SER 442.A O no hydrogen 3.194 N/A ALA 449.A N PRO 445.A O no hydrogen 3.173 N/A LEU 450.A N ALA 446.A O no hydrogen 3.218 N/A MET 451.A N CYS 447.A O no hydrogen 2.804 N/A GLU 452.A N GLN 448.A O no hydrogen 3.141 N/A GLN 453.A N ALA 449.A O no hydrogen 2.840 N/A LEU 454.A N LEU 450.A O no hydrogen 2.917 N/A GLY 455.A N MET 451.A O no hydrogen 2.682 N/A TYR 456.A N MET 451.A O no hydrogen 2.974 N/A LYS 460.A NZ GLU 435.A OE2 no hydrogen 2.634 N/A LYS 460.A NZ VAL 436.A O no hydrogen 2.701 N/A GLU 461.A N ASP 458.A O no hydrogen 3.259 N/A LEU 462.A N TYR 459.A O no hydrogen 3.130 N/A GLN 463.A N LYS 460.A O no hydrogen 3.228 N/A GLN 463.A NE2 GLU 435.A OE2 no hydrogen 2.880 N/A GLN 463.A NE2 LYS 460.A O no hydrogen 2.899 N/A HIS 465.A N GLU 461.A O no hydrogen 3.401 N/A PHE 466.A N LEU 462.A O no hydrogen 3.010 N/A LEU 467.A N GLN 463.A O no hydrogen 2.893 N/A ARG 468.A N GLY 464.A O no hydrogen 3.008 N/A ARG 468.A NH1 TYR 456.A OH no hydrogen 3.473 N/A HIS 469.A N HIS 465.A O no hydrogen 3.341 N/A HIS 469.A NE2 ASP 414.A OD1 no hydrogen 2.719 N/A ALA 470.A N PHE 466.A O no hydrogen 3.125 N/A GLU 471.A N LEU 467.A O no hydrogen 2.815 N/A ASP 472.A N ARG 468.A O no hydrogen 3.012 N/A LYS 473.A N HIS 469.A O no hydrogen 2.905 N/A LYS 473.A NZ GLU 418.A OE1 no hydrogen 2.761 N/A LEU 474.A N ALA 470.A O no hydrogen 3.000 N/A ARG 475.A N GLU 471.A O no hydrogen 2.967 N/A LYS 476.A N ASP 472.A O no hydrogen 3.013 N/A LEU 477.A N LYS 473.A O no hydrogen 3.089 N/A GLY 478.A N ARG 475.A O no hydrogen 3.000 N/A LYS 479.A N LEU 474.A O no hydrogen 2.675 N/A LYS 479.A NZ ALA 421.A O no hydrogen 3.482 N/A LYS 479.A NZ PHE 424.A O no hydrogen 3.016 N/A LYS 479.A NZ ALA 426.A O no hydrogen 2.985 N/A ARG 480.A N PRO 427.A O no hydrogen 2.905 N/A ARG 480.A NE ASP 496.A O no hydrogen 2.604 N/A ARG 480.A NH1 ASP 517.A OD2 no hydrogen 3.360 N/A ARG 480.A NH2 ASP 496.A O no hydrogen 3.257 N/A ARG 480.A NH2 ASP 517.A OD2 no hydrogen 2.897 N/A LEU 482.A N VAL 429.A O no hydrogen 2.878 N/A GLY 483.A N VAL 498.A O no hydrogen 2.808 N/A TRP 484.A N GLY 432.A O no hydrogen 2.871 N/A TRP 484.A NE1 GLU 364.A OE2 no hydrogen 3.009 N/A GLU 485.A N TYR 500.A O no hydrogen 2.734 N/A ALA 487.A N TRP 484.A O no hydrogen 2.902 N/A GLN 488.A N GLU 485.A O no hydrogen 3.492 N/A GLN 488.A NE2 GLU 485.A O no hydrogen 3.189 N/A HIS 489.A N GLU 486.A O no hydrogen 3.349 N/A LYS 492.A NZ GLU 435.A OE1 no hydrogen 3.073 N/A LYS 492.A NZ HIS 489.A O no hydrogen 3.283 N/A SER 494.A N GLU 471.A OE1 no hydrogen 3.057 N/A SER 494.A OG GLU 471.A OE2 no hydrogen 2.500 N/A LYS 495.A NZ GLN 514.A O no hydrogen 2.834 N/A ASP 496.A N SER 494.A OG no hydrogen 3.410 N/A THR 497.A N SER 494.A O no hydrogen 3.197 N/A THR 497.A OG1 GLU 471.A OE2 no hydrogen 2.655 N/A VAL 498.A N MET 481.A O no hydrogen 2.980 N/A ILE 499.A N ASP 517.A O no hydrogen 2.940 N/A TYR 500.A N GLY 483.A O no hydrogen 2.765 N/A TYR 500.A OH TYR 262.A OH no hydrogen 2.688 N/A SER 501.A N VAL 519.A O no hydrogen 2.834 N/A SER 501.A OG GLU 485.A OE1 no hydrogen 2.751 N/A LEU 503.A N GLU 485.A OE1 no hydrogen 3.140 N/A ALA 507.A N SER 504.A OG no hydrogen 3.049 N/A ALA 508.A N SER 504.A O no hydrogen 3.014 N/A LEU 509.A N GLU 505.A O no hydrogen 2.963 N/A ASN 510.A N GLU 506.A O no hydrogen 3.058 N/A CYS 511.A N ALA 507.A O no hydrogen 2.939 N/A ALA 512.A N ALA 508.A O no hydrogen 2.820 N/A ARG 513.A N LEU 509.A O no hydrogen 2.990 N/A GLN 514.A N ASN 510.A O no hydrogen 3.350 N/A GLN 514.A N CYS 511.A O no hydrogen 3.193 N/A GLY 515.A N ALA 512.A O no hydrogen 3.049 N/A VAL 518.A N ARG 570.A O no hydrogen 2.951 N/A VAL 519.A N ILE 499.A O no hydrogen 2.775 N/A LEU 520.A N GLY 573.A O no hydrogen 2.780 N/A GLN 521.A N SER 501.A O no hydrogen 2.943 N/A GLN 521.A NE2 TYR 527.A OH no hydrogen 3.450 N/A ALA 523.A N TRP 502.A O no hydrogen 2.978 N/A THR 525.A N PRO 522.A O no hydrogen 3.198 N/A THR 526.A N PRO 522.A O no hydrogen 2.992 N/A THR 526.A OG1 PRO 522.A O no hydrogen 2.667 N/A LEU 528.A N ALA 577.A O no hydrogen 2.834 N/A MET 530.A N TYR 527.A O no hydrogen 3.129 N/A THR 531.A N VAL 541.A O no hydrogen 3.011 N/A THR 531.A OG1 TYR 89.A OH no hydrogen 3.067 N/A GLN 532.A NE2 TYR 591.A O no hydrogen 2.922 N/A GLU 538.A N ALA 535.A O no hydrogen 3.110 N/A VAL 541.A N ASP 529.A O no hydrogen 3.110 N/A ASN 545.A N ASP 542.A O no hydrogen 2.735 N/A LEU 547.A N THR 531.A O no hydrogen 2.749 N/A LYS 551.A NZ GLN 524.A O no hydrogen 3.434 N/A LYS 551.A NZ PRO 546.A O no hydrogen 2.804 N/A ALA 552.A N PRO 548.A O no hydrogen 3.007 N/A TYR 553.A N LEU 549.A O no hydrogen 2.834 N/A TYR 553.A OH GLU 602.A OE1 no hydrogen 2.482 N/A ASN 554.A N GLU 550.A O no hydrogen 3.000 N/A TYR 555.A N ALA 552.A O no hydrogen 3.295 N/A LEU 558.A N GLU 505.A OE1 no hydrogen 2.752 N/A VAL 561.A N LEU 558.A O no hydrogen 3.370 N/A ASP 565.A N PRO 562.A O no hydrogen 3.283 N/A ILE 567.A N ASP 565.A OD1 no hydrogen 2.971 N/A ARG 568.A N ASP 565.A O no hydrogen 3.236 N/A ARG 568.A NH1.A VAL 561.A O no hydrogen 2.623 N/A ARG 568.A NH2.A VAL 561.A O no hydrogen 3.149 N/A ARG 568.A NH2.A PRO 562.A O no hydrogen 2.626 N/A LYS 569.A N PRO 566.A O no hydrogen 3.313 N/A ARG 570.A N ILE 567.A O no hydrogen 3.051 N/A ARG 570.A NH1 ALA 512.A O no hydrogen 2.908 N/A ILE 571.A N ARG 568.A O no hydrogen 3.352 N/A TRP 572.A N VAL 518.A O no hydrogen 2.917 N/A ILE 574.A N TYR 262.A O no hydrogen 2.993 N/A GLN 575.A N LEU 520.A O no hydrogen 2.802 N/A GLN 575.A NE2 HIS 295.A ND1 no hydrogen 3.256 N/A GLN 575.A NE2 GLN 521.A OE1 no hydrogen 2.521 N/A THR 576.A N GLY 264.A O no hydrogen 2.989 N/A THR 576.A OG1 THR 526.A O no hydrogen 2.718 N/A ALA 577.A N THR 526.A O no hydrogen 3.001 N/A LEU 578.A N MET 266.A O no hydrogen 2.797 N/A CYS 580.A N ASP 268.A OD2 no hydrogen 2.990 N/A CYS 580.A SG ASP 268.A O no hydrogen 3.292 N/A CYS 580.A SG HIS 274.A NE2 no hydrogen 3.372 N/A CYS 580.A SG LEU 578.A O no hydrogen 3.668 N/A GLU 581.A N GLU 581.A OE1 no hydrogen 2.826 N/A ILE 583.A N CYS 580.A O no hydrogen 3.442 N/A ASN 584.A ND2 THR 332.A OG1 no hydrogen 3.341 N/A MET 589.A N ASN 585.A O no hydrogen 3.014 N/A ASP 590.A N PRO 586.A O no hydrogen 2.918 N/A TYR 591.A N SER 587.A O no hydrogen 3.272 N/A TYR 591.A OH GLU 538.A OE2 no hydrogen 2.525 N/A MET 592.A N ARG 588.A O no hydrogen 3.098 N/A ILE 593.A N MET 589.A O no hydrogen 3.004 N/A PHE 594.A N ASP 590.A O no hydrogen 2.913 N/A ARG 596.A NH1 MET 530.A O no hydrogen 2.866 N/A ARG 596.A NH1 LEU 547.A O no hydrogen 2.809 N/A ARG 596.A NH2 MET 530.A O no hydrogen 3.170 N/A ARG 596.A NH2 MET 592.A O no hydrogen 2.786 N/A LEU 597.A N ILE 593.A O no hydrogen 2.788 N/A THR 598.A N PRO 595.A O no hydrogen 3.160 N/A THR 598.A OG1 PRO 595.A O no hydrogen 2.521 N/A THR 598.A OG1 TYR 616.A OH no hydrogen 2.654 N/A MET 600.A N ARG 596.A O no hydrogen 3.116 N/A ALA 601.A N LEU 597.A O no hydrogen 2.828 N/A GLU 602.A N THR 598.A O no hydrogen 2.955 N/A ALA 603.A N ALA 599.A O no hydrogen 3.117 N/A CYS 604.A N MET 600.A O no hydrogen 3.078 N/A CYS 604.A SG MET 600.A O no hydrogen 3.149 N/A TRP 605.A N ALA 601.A O no hydrogen 3.072 N/A TRP 605.A NE1 ASP 256.A OD1 no hydrogen 2.947 N/A TRP 605.A NE1 ASP 256.A OD2 no hydrogen 3.079 N/A THR 606.A N GLU 602.A O no hydrogen 2.895 N/A THR 606.A OG1 LYS 142.A O no hydrogen 2.621 N/A GLU 607.A N ASN 144.A OD1 no hydrogen 2.757 N/A GLN 609.A N GLN 609.A OE1 no hydrogen 2.831 N/A HIS 610.A N GLU 607.A O no hydrogen 3.039 N/A ARG 611.A N LYS 608.A O no hydrogen 3.214 N/A ARG 611.A NH2 TYR 555.A O no hydrogen 2.517 N/A ASP 612.A N TYR 553.A OH no hydrogen 3.249 N/A ASP 615.A N ASP 612.A OD2 no hydrogen 3.100 N/A TYR 616.A N ASP 612.A O no hydrogen 2.780 N/A TYR 616.A OH THR 598.A OG1 no hydrogen 2.654 N/A LEU 617.A N TRP 613.A O no hydrogen 2.954 N/A SER 618.A N THR 614.A O no hydrogen 3.145 N/A SER 618.A OG ASP 615.A O no hydrogen 2.636 N/A ARG 619.A N ASP 615.A O no hydrogen 3.036 N/A ARG 619.A NE ASP 615.A OD2 no hydrogen 2.917 N/A ARG 619.A NH1 LEU 139.A O no hydrogen 2.796 N/A ARG 619.A NH1 GLU 602.A OE2 no hydrogen 2.832 N/A ARG 619.A NH2 GLU 602.A OE1 no hydrogen 3.079 N/A ARG 619.A NH2 ASP 615.A OD2 no hydrogen 3.321 N/A LEU 620.A N TYR 616.A O no hydrogen 2.732 N/A LYS 621.A N LEU 617.A O no hydrogen 2.782 N/A GLY 622.A N SER 618.A O no hydrogen 3.210 N/A HIS 623.A N ARG 619.A O no hydrogen 2.978 N/A HIS 623.A NE2 TYR 289.A OH no hydrogen 2.553 N/A LEU 624.A N LEU 620.A O no hydrogen 3.003 N/A LEU 626.A N HIS 623.A O no hydrogen 3.079 N/A LEU 627.A N HIS 623.A O no hydrogen 3.455 N/A ASP 628.A N LEU 624.A O no hydrogen 3.089 N/A LEU 629.A N PRO 625.A O no hydrogen 3.089 N/A GLN 630.A NE2 LEU 626.A O no hydrogen 2.931 N/A GLY 631.A N ASP 628.A O no hydrogen 2.886 N/A VAL 632.A N LEU 627.A O no hydrogen 2.909 N/A ASN 633.A N ASP 590.A OD2 no hydrogen 3.051 N/A ASN 633.A ND2 SER 587.A O no hydrogen 2.873 N/A TYR 634.A N VAL 632.A O no hydrogen 2.909 N/A TYR 634.A OH ASP 628.A OD1 no hydrogen 3.076 N/A TYR 634.A OH ASP 628.A OD2 no hydrogen 3.086 N/A ARG 635.A N PHE 594.A O no hydrogen 2.981 N/A ARG 635.A NE GLU 538.A OE1 no hydrogen 3.537 N/A ARG 635.A NE GLU 538.A OE2 no hydrogen 3.281 N/A TRP 638.A NE1 PRO 130.A O no hydrogen 2.915 N/A