Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4yw8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N LEU 22.A O no hydrogen 2.881 N/A GLY 1.A N ASP 23.A O no hydrogen 3.100 N/A GLY 1.A N LEU 25.A O no hydrogen 2.617 N/A SER 2.A N GLN 27.A OE1 no hydrogen 2.898 N/A SER 2.A OG GLN 27.A OE1 no hydrogen 3.065 N/A LEU 11.A N GLN 6.A OE1 no hydrogen 2.906 N/A PHE 13.A N GLU 34.A OE1 no hydrogen 2.813 N/A SER 14.A N ASP 12.A OD1 no hydrogen 2.948 N/A SER 14.A OG ASP 12.A OD1 no hydrogen 2.823 N/A LYS 16.A N PHE 13.A O no hydrogen 2.969 N/A VAL 17.A N SER 14.A O no hydrogen 3.228 N/A ILE 18.A N ILE 45.A O no hydrogen 2.807 N/A GLN 19.A NE2 ILE 47.A O no hydrogen 2.988 N/A GLN 19.A NE2 GLU 54.A OE1 no hydrogen 2.819 N/A SER 24.A N SER 21.A O no hydrogen 3.237 N/A SER 24.A N SER 21.A OG no hydrogen 3.360 N/A SER 24.A OG SER 21.A O no hydrogen 2.930 N/A LEU 25.A N LEU 22.A O no hydrogen 3.160 N/A GLN 27.A NE2 GLN 27.A O no hydrogen 2.984 N/A ARG 30.A N PRO 26.A O no hydrogen 2.963 N/A ARG 30.A NE GLU 34.A OE2 no hydrogen 2.788 N/A ARG 30.A NH1 GLY 1.A O no hydrogen 2.826 N/A ARG 30.A NH2 GLU 34.A OE1 no hydrogen 2.968 N/A ARG 30.A NH2 GLU 34.A OE2 no hydrogen 3.308 N/A LYS 31.A N GLN 27.A O no hydrogen 3.074 N/A LYS 31.A NZ GLU 28.A OE1 no hydrogen 2.972 N/A PHE 32.A N GLU 28.A O no hydrogen 3.025 N/A VAL 33.A N VAL 29.A O no hydrogen 2.862 N/A GLU 34.A N ARG 30.A O no hydrogen 2.699 N/A GLY 35.A N LYS 31.A O no hydrogen 2.878 N/A ASN 36.A N PHE 32.A O no hydrogen 3.166 N/A ASN 36.A ND2 PHE 32.A O no hydrogen 3.004 N/A ALA 37.A N VAL 33.A O no hydrogen 2.885 N/A GLN 38.A N GLU 34.A O no hydrogen 2.943 N/A GLN 38.A NE2 LEU 11.A O no hydrogen 2.948 N/A LEU 39.A N GLY 35.A O no hydrogen 3.110 N/A CYS 40.A N ASN 36.A O no hydrogen 2.697 N/A CYS 40.A SG ASN 36.A O no hydrogen 3.430 N/A CYS 40.A SG PHE 132.A O no hydrogen 3.920 N/A GLN 41.A N ALA 37.A O no hydrogen 2.776 N/A GLN 41.A NE2.A GLN 38.A O no hydrogen 2.751 N/A GLU 43.A N ARG 139.A O no hydrogen 2.765 N/A TYR 44.A N ARG 139.A O no hydrogen 3.419 N/A ILE 45.A N LYS 16.A O no hydrogen 2.836 N/A HIS 46.A N MET 141.A O no hydrogen 2.910 N/A HIS 46.A NE2 GLU 54.A OE1 no hydrogen 2.820 N/A ILE 47.A N GLN 19.A O no hydrogen 2.959 N/A CYS 48.A N VAL 143.A O no hydrogen 2.838 N/A CYS 48.A SG VAL 143.A O no hydrogen 3.355 N/A ASP 49.A N GLU 54.A OE1 no hydrogen 2.948 N/A GLY 50.A N GLU 54.A OE2 no hydrogen 2.882 N/A SER 51.A N ASP 49.A OD1 no hydrogen 2.893 N/A SER 51.A OG.A ASP 49.A OD1 no hydrogen 2.742 N/A SER 51.A OG.A ASP 49.A OD2 no hydrogen 3.505 N/A SER 51.A OG.B ASP 49.A OD1 no hydrogen 2.556 N/A GLU 54.A N SER 51.A OG.A no hydrogen 3.078 N/A TYR 55.A N SER 51.A O no hydrogen 3.122 N/A GLY 56.A N GLU 52.A O no hydrogen 2.739 N/A ARG 57.A N GLU 53.A O no hydrogen 2.902 N/A LEU 58.A N GLU 54.A O no hydrogen 2.950 N/A LEU 59.A N TYR 55.A O no hydrogen 3.015 N/A ALA 60.A N GLY 56.A O no hydrogen 3.042 N/A HIS 61.A N ARG 57.A O no hydrogen 3.011 N/A HIS 61.A ND1 GLU 64.A OE2 no hydrogen 2.992 N/A MET 62.A N LEU 58.A O no hydrogen 2.994 N/A GLN 63.A N LEU 59.A O no hydrogen 2.808 N/A GLU 64.A N ALA 60.A O no hydrogen 2.744 N/A GLU 65.A N HIS 61.A O no hydrogen 2.926 N/A GLY 66.A N GLN 63.A O no hydrogen 3.058 N/A VAL 67.A N MET 62.A O no hydrogen 2.912 N/A ARG 69.A N LEU 79.A O no hydrogen 2.866 N/A ARG 69.A NE GLU 364.A OE1 no hydrogen 2.794 N/A ARG 69.A NH2 GLU 364.A OE2 no hydrogen 3.157 N/A LEU 71.A N CYS 77.A O no hydrogen 2.926 N/A LYS 72.A NZ SER 366.A O no hydrogen 3.401 N/A LYS 73.A N GLY 368.A O no hydrogen 3.099 N/A TYR 74.A N LEU 71.A O no hydrogen 3.184 N/A ASP 75.A N GLN 354.A O no hydrogen 3.326 N/A ASN 76.A ND2 ASN 356.A OD1 no hydrogen 2.963 N/A CYS 77.A SG ASP 75.A O no hydrogen 3.666 N/A CYS 77.A SG ILE 353.A O no hydrogen 3.801 N/A TRP 78.A N THR 357.A O no hydrogen 3.077 N/A TRP 78.A NE1 ASN 76.A OD1 no hydrogen 2.896 N/A LEU 79.A N ARG 69.A O no hydrogen 2.749 N/A ALA 80.A N PHE 359.A O no hydrogen 2.864 N/A THR 82.A N ASN 361.A OD1 no hydrogen 2.835 N/A THR 82.A OG1 ASP 83.A O no hydrogen 2.937 N/A THR 82.A OG1 ASP 86.A O no hydrogen 3.090 N/A ARG 85.A N ASP 83.A OD1 no hydrogen 3.047 N/A ARG 85.A NE ASP 83.A OD1 no hydrogen 3.228 N/A ARG 85.A NE ASP 83.A OD2 no hydrogen 3.369 N/A ARG 85.A NH2 ASP 83.A OD2 no hydrogen 2.767 N/A ASP 86.A N ASP 83.A O no hydrogen 2.897 N/A ARG 89.A NH1 GLU 91.A OE2 no hydrogen 3.031 N/A LYS 93.A N ILE 90.A O no hydrogen 3.038 N/A THR 94.A N GLU 91.A O no hydrogen 3.039 N/A THR 94.A OG1 ILE 90.A O no hydrogen 2.642 N/A VAL 95.A N ILE 221.A O no hydrogen 2.844 N/A ILE 96.A N ARG 117.A O no hydrogen 2.895 N/A ILE 97.A N HIS 223.A O no hydrogen 2.852 N/A THR 98.A OG1 GLU 100.A O no hydrogen 2.777 N/A THR 98.A OG1 THR 104.A OG1 no hydrogen 2.714 N/A GLN 99.A NE2 GLU 100.A OE2 no hydrogen 3.186 N/A ARG 102.A NH2 ASP 597.A OD1 no hydrogen 2.632 N/A ASP 103.A N GLU 100.A O no hydrogen 3.137 N/A THR 104.A N GLN 101.A O no hydrogen 2.848 N/A THR 104.A OG1 THR 98.A OG1 no hydrogen 2.714 N/A VAL 105.A N GLN 101.A O no hydrogen 3.022 N/A LYS 109.A N ASP 592.A O no hydrogen 2.943 N/A LYS 109.A NZ GLU 591.A OE2 no hydrogen 3.064 N/A SER 110.A N ASP 592.A OD1 no hydrogen 2.851 N/A SER 110.A OG ASP 592.A OD1 no hydrogen 3.031 N/A GLY 111.A N ASP 592.A OD1 no hydrogen 2.858 N/A GLN 114.A N GLN 593.A OE1 no hydrogen 2.801 N/A GLN 114.A NE2.B GLN 112.A OE1.B no hydrogen 2.565 N/A LEU 115.A N SER 113.A OG no hydrogen 3.144 N/A TRP 118.A NE1 THR 98.A O no hydrogen 2.896 N/A MET 119.A N ILE 96.A O no hydrogen 3.116 N/A ASP 123.A N SER 120.A OG no hydrogen 3.113 N/A PHE 124.A N SER 120.A O no hydrogen 2.940 N/A GLU 125.A N GLU 121.A O no hydrogen 3.106 N/A LYS 126.A N GLU 122.A O no hydrogen 3.234 N/A ALA 127.A N ASP 123.A O no hydrogen 2.980 N/A PHE 128.A N PHE 124.A O no hydrogen 2.759 N/A ASN 129.A N GLU 125.A O no hydrogen 2.995 N/A ALA 130.A N LYS 126.A O no hydrogen 3.123 N/A ARG 131.A N PHE 128.A O no hydrogen 3.053 N/A ARG 131.A NE LEU 218.A O no hydrogen 2.795 N/A ARG 131.A NH1 ALA 127.A O no hydrogen 2.934 N/A PHE 132.A N PHE 128.A O no hydrogen 2.991 N/A GLY 134.A N LEU 39.A O no hydrogen 2.985 N/A CYS 135.A N PHE 132.A O no hydrogen 2.907 N/A CYS 135.A SG PHE 132.A O no hydrogen 3.212 N/A CYS 135.A SG SER 197.A OG no hydrogen 3.327 N/A MET 136.A N CYS 40.A O no hydrogen 2.914 N/A LYS 137.A N GLY 134.A O no hydrogen 3.148 N/A LYS 137.A NZ.B GLN 41.A OE1.A no hydrogen 3.310 N/A ARG 139.A N MET 136.A O no hydrogen 2.836 N/A ARG 139.A NE CYS 200.A O no hydrogen 2.990 N/A ARG 139.A NH2 CYS 200.A O no hydrogen 2.770 N/A MET 141.A N TYR 44.A O no hydrogen 2.890 N/A TYR 142.A N THR 163.A O no hydrogen 2.737 N/A VAL 143.A N HIS 46.A O no hydrogen 2.909 N/A ILE 144.A N GLU 161.A O no hydrogen 2.776 N/A PHE 146.A N GLY 159.A O no hydrogen 2.859 N/A SER 147.A N ARG 177.A O no hydrogen 2.803 N/A SER 147.A OG GLY 149.A O no hydrogen 3.203 N/A MET 148.A N LYS 157.A O no hydrogen 2.754 N/A SER 153.A N PRO 150.A O no hydrogen 2.798 N/A SER 153.A OG PRO 421.A O no hydrogen 2.804 N/A LEU 155.A N SER 153.A OG no hydrogen 2.972 N/A ALA 156.A N SER 153.A O no hydrogen 2.969 N/A LYS 157.A N MET 148.A O no hydrogen 3.008 N/A GLY 159.A N PHE 146.A O no hydrogen 2.793 N/A ILE 160.A N ILE 192.A O no hydrogen 3.106 N/A GLU 161.A N ILE 144.A O no hydrogen 2.959 N/A LEU 162.A N CYS 194.A O no hydrogen 2.916 N/A THR 163.A N TYR 142.A O no hydrogen 3.038 N/A THR 163.A OG1 HIS 196.A ND1 no hydrogen 2.818 N/A SER 165.A N THR 163.A OG1 no hydrogen 3.055 N/A TYR 167.A OH THR 360.A OG1 no hydrogen 2.633 N/A VAL 168.A N SER 165.A O no hydrogen 3.060 N/A VAL 168.A N SER 165.A OG no hydrogen 3.211 N/A VAL 169.A N SER 165.A O no hydrogen 3.181 N/A ALA 170.A N PRO 166.A O no hydrogen 2.987 N/A SER 171.A N TYR 167.A O no hydrogen 2.980 N/A SER 171.A OG TYR 167.A O no hydrogen 2.892 N/A MET 172.A N VAL 168.A O no hydrogen 2.871 N/A ARG 173.A N VAL 169.A O no hydrogen 2.962 N/A ARG 173.A NE GLY 50.A O no hydrogen 3.018 N/A ARG 173.A NH2 GLY 50.A O no hydrogen 2.909 N/A ILE 174.A N SER 171.A O no hydrogen 3.221 N/A MET 175.A N SER 171.A O no hydrogen 2.876 N/A THR 176.A N MET 172.A O no hydrogen 2.951 N/A THR 176.A OG1 MET 172.A O no hydrogen 2.791 N/A ARG 177.A N SER 147.A O no hydrogen 3.390 N/A ARG 177.A NH1 GLU 331.A O no hydrogen 3.011 N/A ARG 177.A NH2 GLU 419.A OE1 no hydrogen 3.079 N/A GLY 179.A N PRO 145.A O no hydrogen 2.935 N/A THR 180.A N ASP 49.A O no hydrogen 3.062 N/A VAL 182.A N GLY 179.A O no hydrogen 3.071 N/A GLU 184.A N THR 180.A O no hydrogen 3.015 N/A ALA 185.A N SER 181.A O no hydrogen 3.017 N/A LEU 186.A N VAL 182.A O no hydrogen 2.826 N/A GLY 187.A N LEU 183.A O no hydrogen 3.227 N/A GLY 189.A N LEU 186.A O no hydrogen 2.978 N/A ILE 192.A N ILE 158.A O no hydrogen 3.014 N/A LYS 193.A N ARG 228.A O no hydrogen 2.946 N/A CYS 194.A N ILE 160.A O no hydrogen 2.991 N/A CYS 194.A SG ILE 192.A O no hydrogen 3.833 N/A LEU 195.A N ILE 230.A O no hydrogen 2.876 N/A HIS 196.A N LEU 162.A O no hydrogen 2.760 N/A HIS 196.A ND1 THR 163.A OG1 no hydrogen 2.818 N/A HIS 196.A NE2 SER 235.A O no hydrogen 2.725 N/A SER 197.A N SER 232.A O no hydrogen 3.092 N/A SER 197.A OG ASP 164.A OD2 no hydrogen 2.731 N/A VAL 198.A N ASP 164.A OD1 no hydrogen 2.988 N/A GLY 199.A N SER 197.A OG no hydrogen 2.979 N/A CYS 200.A SG VAL 198.A O no hydrogen 3.896 N/A CYS 200.A SG CYS 214.A O no hydrogen 3.099 N/A LEU 202.A N LYS 137.A O no hydrogen 2.835 N/A ASN 210.A ND2 THR 82.A O no hydrogen 3.299 N/A TRP 212.A N VAL 209.A O no hydrogen 2.893 N/A TRP 212.A NE1 ASP 86.A OD2 no hydrogen 2.806 N/A CYS 214.A SG ASP 83.A OD2 no hydrogen 3.469 N/A CYS 214.A SG TRP 212.A O no hydrogen 3.871 N/A ASN 215.A N GLY 234.A O no hydrogen 2.742 N/A ASN 215.A ND2 GLY 199.A O no hydrogen 2.998 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 2.798 N/A LEU 218.A N ASN 215.A O no hydrogen 3.192 N/A THR 219.A N PRO 216.A O no hydrogen 3.161 N/A THR 219.A OG1 ASN 215.A O no hydrogen 3.005 N/A THR 219.A OG1 PRO 216.A O no hydrogen 3.509 N/A LEU 220.A N PHE 233.A O no hydrogen 2.970 N/A ILE 221.A N LYS 93.A O no hydrogen 2.767 N/A ALA 222.A N ILE 231.A O no hydrogen 2.873 N/A HIS 223.A N VAL 95.A O no hydrogen 3.036 N/A HIS 223.A ND1 VAL 95.A O no hydrogen 2.900 N/A LEU 224.A N GLU 229.A O no hydrogen 2.755 N/A ARG 227.A N LEU 224.A O no hydrogen 2.975 N/A ARG 227.A NH1 GLU 229.A OE1 no hydrogen 3.248 N/A ARG 228.A N PRO 225.A O no hydrogen 3.037 N/A ARG 228.A NH1 PRO 225.A O no hydrogen 2.972 N/A GLU 229.A N LEU 224.A O no hydrogen 3.145 N/A ILE 230.A N LYS 193.A O no hydrogen 2.872 N/A ILE 231.A N ALA 222.A O no hydrogen 2.938 N/A SER 232.A N LEU 195.A O no hydrogen 2.841 N/A SER 232.A OG ASN 240.A O no hydrogen 2.752 N/A PHE 233.A N LEU 220.A O no hydrogen 2.890 N/A GLY 234.A N SER 197.A O no hydrogen 2.861 N/A SER 235.A OG ASP 86.A OD1 no hydrogen 2.523 N/A GLY 236.A N ASP 86.A OD2 no hydrogen 2.894 N/A TYR 237.A N SER 235.A OG no hydrogen 3.184 N/A ASN 240.A N TYR 237.A O no hydrogen 2.786 N/A ASN 240.A ND2 ALA 88.A O no hydrogen 3.268 N/A ASN 240.A ND2 SER 235.A OG no hydrogen 2.886 N/A SER 241.A N TYR 237.A O no hydrogen 3.030 N/A SER 241.A N GLY 238.A O no hydrogen 3.291 N/A SER 241.A OG GLY 236.A O no hydrogen 2.697 N/A SER 241.A OG TYR 237.A O no hydrogen 3.248 N/A LEU 242.A N GLY 238.A O no hydrogen 2.873 N/A LEU 243.A N GLU 161.A OE1 no hydrogen 3.030 N/A LYS 245.A N LEU 242.A O no hydrogen 3.236 N/A LYS 245.A NZ ASP 313.A OD2 no hydrogen 2.703 N/A LYS 245.A NZ GLU 331.A OE2 no hydrogen 2.687 N/A LYS 246.A NZ HIS 266.A NE2 no hydrogen 3.258 N/A LYS 246.A NZ ASP 313.A OD1 no hydrogen 3.142 N/A LYS 246.A NZ ASP 313.A OD2 no hydrogen 3.018 N/A CYS 247.A SG HIS 223.A NE2 no hydrogen 3.391 N/A PHE 248.A N LEU 243.A O no hydrogen 2.972 N/A ALA 249.A N GLY 244.A O no hydrogen 2.930 N/A ALA 249.A N LYS 245.A O no hydrogen 2.850 N/A LEU 250.A N LYS 246.A O no hydrogen 3.166 N/A ARG 251.A N LYS 246.A O no hydrogen 2.947 N/A ARG 251.A NE PRO 478.A O no hydrogen 3.134 N/A ARG 251.A NH1 HIS 223.A NE2 no hydrogen 3.123 N/A ARG 251.A NH2 PRO 478.A O no hydrogen 2.939 N/A ILE 252.A N CYS 247.A O no hydrogen 2.953 N/A ALA 253.A N PHE 248.A O no hydrogen 2.752 N/A SER 254.A N LEU 250.A O no hydrogen 2.844 N/A SER 254.A OG LEU 250.A O no hydrogen 2.760 N/A SER 254.A OG ARG 251.A O no hydrogen 3.116 N/A ARG 255.A N ILE 252.A O no hydrogen 3.158 N/A ARG 255.A NH1 ASP 226.A OD1 no hydrogen 3.489 N/A ARG 255.A NH2 ASP 226.A OD1 no hydrogen 2.824 N/A LEU 256.A N ILE 252.A O no hydrogen 3.076 N/A ALA 257.A N ALA 253.A O no hydrogen 2.837 N/A LYS 258.A N SER 254.A O no hydrogen 3.011 N/A GLU 259.A N ARG 255.A O no hydrogen 3.203 N/A GLU 260.A N LEU 256.A O no hydrogen 2.843 N/A GLU 260.A N ALA 257.A O no hydrogen 3.194 N/A GLY 261.A N ALA 257.A O no hydrogen 2.881 N/A TRP 262.A N ALA 257.A O no hydrogen 2.956 N/A TRP 262.A NE1 GLU 260.A OE1 no hydrogen 2.973 N/A LEU 263.A N MET 317.A O no hydrogen 2.839 N/A GLU 265.A N ALA 315.A O no hydrogen 2.824 N/A HIS 266.A ND1 ALA 475.A O no hydrogen 2.755 N/A HIS 266.A NE2 ASP 313.A OD1 no hydrogen 3.015 N/A LEU 268.A N ALA 284.A O no hydrogen 2.932 N/A ILE 269.A N GLY 311.A O no hydrogen 2.920 N/A LEU 270.A N LEU 282.A O no hydrogen 2.972 N/A GLY 271.A N GLU 308.A O no hydrogen 2.780 N/A ILE 272.A N LYS 280.A O no hydrogen 2.773 N/A THR 273.A N LYS 306.A O no hydrogen 2.918 N/A ASN 274.A N LYS 278.A O no hydrogen 2.922 N/A GLU 276.A N ASN 274.A OD1 no hydrogen 2.929 N/A GLY 277.A N ASN 274.A O no hydrogen 3.138 N/A LYS 278.A N ASN 274.A OD1 no hydrogen 2.974 N/A LYS 278.A NZ GLU 276.A O no hydrogen 3.183 N/A LYS 279.A NZ TYR 281.A OH no hydrogen 3.122 N/A LYS 279.A NZ GLU 308.A OE1 no hydrogen 3.230 N/A LYS 279.A NZ ASP 415.A OD1 no hydrogen 2.758 N/A LYS 280.A N ILE 272.A O no hydrogen 2.884 N/A LYS 280.A NZ GLU 427.A OE1 no hydrogen 2.862 N/A TYR 281.A OH ASP 415.A OD1 no hydrogen 3.405 N/A TYR 281.A OH ASP 415.A OD2 no hydrogen 2.736 N/A LEU 282.A N LEU 270.A O no hydrogen 2.958 N/A ALA 283.A N GLY 428.A O no hydrogen 2.959 N/A ALA 284.A N LEU 268.A O no hydrogen 2.974 N/A ALA 285.A N ILE 430.A O no hydrogen 2.775 N/A CYS 290.A N PRO 287.A O no hydrogen 2.681 N/A LYS 292.A NZ HIS 266.A NE2 no hydrogen 3.120 N/A LYS 292.A NZ PHE 286.A O no hydrogen 3.162 N/A THR 293.A OG1 ASP 312.A OD2 no hydrogen 2.686 N/A LEU 295.A N GLY 291.A O no hydrogen 3.168 N/A ALA 296.A N LYS 292.A O no hydrogen 2.763 N/A MET 297.A N THR 293.A O no hydrogen 3.045 N/A MET 298.A N LEU 295.A O no hydrogen 3.171 N/A THR 301.A N GLY 525.A O no hydrogen 3.186 N/A THR 301.A OG1 GLY 525.A O no hydrogen 3.202 N/A THR 301.A OG1 GLU 526.A OE1 no hydrogen 2.739 N/A TRP 305.A N LEU 302.A O no hydrogen 3.440 N/A LYS 306.A N THR 273.A O no hydrogen 2.994 N/A GLU 308.A N GLY 271.A O no hydrogen 2.853 N/A CYS 309.A N ILE 413.A O no hydrogen 2.915 N/A VAL 310.A N ILE 269.A O no hydrogen 2.942 N/A GLY 311.A N ILE 269.A O no hydrogen 3.132 N/A ALA 315.A N GLU 265.A O no hydrogen 2.927 N/A TRP 316.A N ILE 328.A O no hydrogen 2.917 N/A TRP 316.A NE1 ALA 249.A O no hydrogen 2.912 N/A MET 317.A N LEU 263.A O no hydrogen 2.843 N/A LYS 318.A N ARG 326.A O no hydrogen 2.841 N/A ASP 320.A N ASN 324.A O no hydrogen 2.866 N/A GLY 323.A N ASP 320.A O no hydrogen 2.871 N/A ASN 324.A N ASP 320.A OD1 no hydrogen 3.007 N/A ARG 326.A N LYS 318.A O no hydrogen 3.012 N/A ARG 326.A NH1 GLY 423.A O no hydrogen 2.920 N/A ALA 327.A N VAL 424.A O no hydrogen 2.818 N/A ILE 328.A N TRP 316.A O no hydrogen 2.836 N/A ASN 329.A ND2 VAL 310.A O no hydrogen 2.972 N/A GLU 331.A N ASN 329.A OD1 no hydrogen 2.860 N/A ASN 332.A N MET 175.A O no hydrogen 2.929 N/A ASN 332.A ND2 THR 176.A O no hydrogen 2.927 N/A PHE 334.A N THR 406.A O no hydrogen 2.867 N/A GLY 336.A N PHE 404.A O no hydrogen 2.891 N/A ALA 338.A N SER 402.A O no hydrogen 2.942 N/A GLY 340.A N GLU 373.A O no hydrogen 2.837 N/A THR 341.A N ALA 338.A O no hydrogen 2.960 N/A THR 341.A OG1 VAL 337.A O no hydrogen 3.101 N/A THR 341.A OG1 ALA 338.A O no hydrogen 2.990 N/A SER 342.A N THR 345.A OG1 no hydrogen 2.939 N/A LYS 344.A NZ ASP 376.A OD2 no hydrogen 3.352 N/A THR 345.A N SER 342.A OG no hydrogen 2.981 N/A THR 345.A OG1 GLY 340.A O no hydrogen 2.793 N/A THR 345.A OG1 SER 342.A O no hydrogen 3.550 N/A ASN 346.A N SER 342.A O no hydrogen 2.755 N/A ASN 346.A ND2 ASN 294.A OD1 no hydrogen 2.950 N/A ASN 348.A ND2 MET 297.A O no hydrogen 3.104 N/A ASN 348.A ND2 ASN 299.A OD1.B no hydrogen 3.192 N/A ALA 349.A N ASN 346.A O no hydrogen 3.002 N/A ALA 349.A N ASN 346.A OD1 no hydrogen 2.924 N/A ILE 350.A N ASN 346.A O no hydrogen 3.184 N/A LYS 351.A N PRO 347.A O no hydrogen 3.103 N/A THR 352.A N ASN 348.A O no hydrogen 3.116 N/A THR 352.A N ALA 349.A O no hydrogen 2.932 N/A THR 352.A OG1.A ASN 348.A O no hydrogen 2.732 N/A ILE 353.A N ALA 349.A O no hydrogen 3.099 N/A ASN 356.A N ASP 75.A O no hydrogen 2.926 N/A ASN 356.A ND2 GLN 410.A OE1 no hydrogen 3.005 N/A THR 357.A OG1 LYS 355.A O no hydrogen 2.767 N/A THR 357.A OG1 THR 406.A OG1 no hydrogen 2.739 N/A ILE 358.A N CYS 405.A O no hydrogen 3.006 N/A PHE 359.A N TRP 78.A O no hydrogen 2.761 N/A THR 360.A N ARG 403.A O no hydrogen 2.893 N/A THR 360.A OG1 TYR 167.A OH no hydrogen 2.633 N/A ASN 361.A N ALA 80.A O no hydrogen 2.789 N/A ASN 361.A ND2 THR 82.A OG1 no hydrogen 2.968 N/A ALA 363.A N TYR 371.A O no hydrogen 2.928 N/A GLU 364.A N THR 386.A O no hydrogen 2.934 N/A THR 365.A N GLY 369.A O no hydrogen 2.831 N/A THR 365.A OG1 ASP 367.A OD1 no hydrogen 2.532 N/A SER 366.A N THR 384.A O no hydrogen 2.762 N/A SER 366.A OG THR 384.A OG1 no hydrogen 3.338 N/A GLY 368.A N THR 365.A O no hydrogen 2.863 N/A GLY 369.A N THR 365.A OG1 no hydrogen 2.807 N/A VAL 370.A N TYR 74.A OH no hydrogen 3.336 N/A TYR 371.A N ALA 363.A O no hydrogen 2.922 N/A TYR 371.A OH GLU 377.A O no hydrogen 2.671 N/A TRP 372.A NE1 THR 341.A O no hydrogen 2.854 N/A ILE 375.A N TRP 372.A O no hydrogen 3.119 N/A VAL 383.A N ALA 380.A O no hydrogen 2.847 N/A THR 384.A N SER 366.A OG no hydrogen 2.934 N/A THR 386.A N GLU 364.A O no hydrogen 2.811 N/A SER 387.A N LYS 391.A O no hydrogen 2.681 N/A SER 387.A OG LYS 391.A O no hydrogen 3.410 N/A TRP 388.A N CYS 397.A O no hydrogen 2.966 N/A LYS 389.A N SER 387.A OG no hydrogen 3.110 N/A ASN 390.A N SER 387.A O no hydrogen 2.855 N/A TRP 393.A N ILE 385.A O no hydrogen 2.856 N/A TRP 393.A NE1 GLU 395.A O no hydrogen 2.760 N/A CYS 397.A N GLU 373.A OE1 no hydrogen 2.779 N/A CYS 397.A SG GLU 373.A OE1 no hydrogen 3.582 N/A CYS 397.A SG GLU 373.A OE2 no hydrogen 3.631 N/A ALA 398.A N GLU 373.A OE2 no hydrogen 3.107 N/A HIS 399.A N ASN 361.A O no hydrogen 3.012 N/A ASN 401.A N HIS 399.A ND1 no hydrogen 2.995 N/A ASN 401.A ND2 VAL 87.A O no hydrogen 2.997 N/A ASN 401.A ND2 TYR 237.A OH no hydrogen 3.139 N/A SER 402.A N HIS 399.A O no hydrogen 2.916 N/A SER 402.A OG HIS 399.A O no hydrogen 2.703 N/A ARG 403.A N THR 360.A O no hydrogen 3.024 N/A ARG 403.A NE ASN 401.A O no hydrogen 3.351 N/A ARG 403.A NH1 PHE 335.A O no hydrogen 2.984 N/A ARG 403.A NH2 ASN 401.A OD1 no hydrogen 2.731 N/A PHE 404.A N GLY 336.A O no hydrogen 2.980 N/A CYS 405.A N ILE 358.A O no hydrogen 2.811 N/A THR 406.A N PHE 334.A O no hydrogen 2.902 N/A THR 406.A OG1 THR 352.A O no hydrogen 3.393 N/A THR 406.A OG1 THR 357.A OG1 no hydrogen 2.739 N/A ALA 408.A N ASN 332.A O no hydrogen 3.078 N/A GLN 410.A N PRO 407.A O no hydrogen 3.166 N/A GLN 410.A NE2 THR 352.A O no hydrogen 3.009 N/A GLN 410.A NE2 LYS 355.A O no hydrogen 2.647 N/A CYS 411.A N ALA 408.A O no hydrogen 3.124 N/A ILE 414.A N CYS 411.A O no hydrogen 3.027 N/A ASP 415.A N CYS 309.A O no hydrogen 2.784 N/A ALA 417.A N ASP 415.A OD2 no hydrogen 2.911 N/A TRP 418.A N ASP 415.A O no hydrogen 2.954 N/A SER 420.A N ALA 417.A O no hydrogen 3.050 N/A SER 420.A OG.A GLU 422.A OE1 no hydrogen 2.666 N/A SER 420.A OG.B ALA 417.A O no hydrogen 3.533 N/A GLY 423.A N SER 420.A O no hydrogen 3.054 N/A VAL 424.A N ALA 327.A O no hydrogen 2.888 N/A ILE 426.A N LEU 325.A O no hydrogen 2.764 N/A GLU 427.A N TYR 281.A O no hydrogen 2.903 N/A ILE 429.A N LYS 504.A O no hydrogen 2.848 N/A ILE 430.A N ALA 283.A O no hydrogen 2.853 N/A PHE 431.A N PHE 506.A O no hydrogen 2.872 N/A GLY 433.A N VAL 508.A O no hydrogen 3.335 N/A ARG 434.A N SER 460.A OG no hydrogen 2.868 N/A ARG 435.A N ASN 509.A OD1 no hydrogen 3.027 N/A ARG 435.A NH1 GLU 582.A OE2 no hydrogen 2.863 N/A ARG 435.A NH2 GLU 582.A OE1 no hydrogen 2.823 N/A ARG 435.A NH2 GLU 582.A OE2 no hydrogen 3.524 N/A TYR 443.A N HIS 507.A O no hydrogen 2.962 N/A GLU 444.A N TYR 551.A O no hydrogen 2.700 N/A ALA 445.A N ILE 505.A O no hydrogen 2.869 N/A LEU 446.A N HIS 450.A ND1 no hydrogen 2.906 N/A SER 447.A OG.A GLN 449.A OE1 no hydrogen 3.549 N/A SER 447.A OG.B GLN 449.A OE1 no hydrogen 2.493 N/A TRP 448.A NE1 TRP 491.A O no hydrogen 2.913 N/A GLN 449.A N SER 447.A OG.B no hydrogen 3.403 N/A HIS 450.A N SER 447.A OG.A no hydrogen 2.870 N/A GLY 451.A N SER 447.A O no hydrogen 2.891 N/A VAL 452.A N TRP 448.A O no hydrogen 2.979 N/A PHE 453.A N GLN 449.A O no hydrogen 3.010 N/A VAL 454.A N HIS 450.A O no hydrogen 2.836 N/A GLY 455.A N GLY 451.A O no hydrogen 3.101 N/A ALA 456.A N VAL 452.A O no hydrogen 3.062 N/A ALA 457.A N PHE 453.A O no hydrogen 2.882 N/A ALA 457.A N VAL 454.A O no hydrogen 3.238 N/A MET 458.A N GLY 455.A O no hydrogen 3.339 N/A ARG 459.A NH1 GLU 582.A OE2 no hydrogen 3.138 N/A SER 460.A N MET 470.A O no hydrogen 2.929 N/A GLU 461.A N ARG 434.A O no hydrogen 2.909 N/A ALA 462.A N VAL 468.A O no hydrogen 2.961 N/A MET 470.A N SER 460.A O no hydrogen 2.977 N/A ASP 472.A N MET 458.A O no hydrogen 2.921 N/A PHE 474.A N GLY 455.A O no hydrogen 2.899 N/A ALA 475.A N ASP 472.A O no hydrogen 3.021 N/A MET 476.A N PRO 473.A O no hydrogen 2.777 N/A ARG 477.A N ASP 472.A OD1 no hydrogen 2.943 N/A ARG 477.A NH1 GLN 114.A O no hydrogen 2.855 N/A ARG 477.A NH2 GLU 91.A OE1 no hydrogen 2.718 N/A PHE 479.A N MET 476.A O no hydrogen 2.819 N/A GLY 481.A N SER 254.A OG no hydrogen 3.079 N/A ASN 483.A N ASP 103.A O no hydrogen 3.054 N/A ASN 483.A ND2 ARG 102.A O no hydrogen 2.795 N/A ASN 483.A ND2 ASP 597.A OD2 no hydrogen 2.951 N/A LYS 486.A N ASN 483.A OD1 no hydrogen 3.113 N/A TYR 487.A N ASN 483.A O no hydrogen 2.982 N/A TYR 487.A OH GLU 265.A OE1 no hydrogen 2.583 N/A TYR 487.A OH GLU 265.A OE2 no hydrogen 3.378 N/A LEU 488.A N PHE 484.A O no hydrogen 2.885 N/A ALA 489.A N GLY 485.A O no hydrogen 3.079 N/A HIS 490.A N LYS 486.A O no hydrogen 2.841 N/A HIS 490.A NE2 TRP 262.A O no hydrogen 2.763 N/A TRP 491.A N TYR 487.A O no hydrogen 2.948 N/A TRP 491.A NE1 GLU 265.A OE2 no hydrogen 2.930 N/A LEU 492.A N LEU 488.A O no hydrogen 2.941 N/A SER 493.A N ALA 489.A O no hydrogen 2.911 N/A SER 493.A OG HIS 490.A O no hydrogen 2.670 N/A MET 494.A N TRP 491.A O no hydrogen 3.129 N/A ALA 495.A N LEU 492.A O no hydrogen 3.235 N/A HIS 496.A N SER 493.A O no hydrogen 2.975 N/A ARG 497.A N MET 494.A O no hydrogen 3.161 N/A ARG 497.A NH1 GLY 261.A O no hydrogen 2.813 N/A ARG 497.A NH2 PHE 319.A O no hydrogen 3.069 N/A ALA 500.A N ARG 497.A O no hydrogen 3.231 N/A LYS 501.A N GLY 323.A O no hydrogen 2.758 N/A LYS 501.A NZ GLN 322.A O no hydrogen 3.522 N/A LYS 504.A N GLU 427.A O no hydrogen 3.262 N/A LYS 504.A NZ.A GLU 444.A OE2 no hydrogen 2.911 N/A LYS 504.A NZ.B ARG 537.A O no hydrogen 3.197 N/A PHE 506.A N ILE 429.A O no hydrogen 2.913 N/A HIS 507.A N TYR 443.A O no hydrogen 2.858 N/A VAL 508.A N PHE 431.A O no hydrogen 2.820 N/A ASN 509.A N LEU 441.A O no hydrogen 2.915 N/A ASN 509.A ND2 ARG 435.A O no hydrogen 2.848 N/A ASN 509.A ND2 VAL 439.A O no hydrogen 2.921 N/A PHE 511.A N ASN 509.A OD1 no hydrogen 3.036 N/A ARG 512.A NH1 LEU 571.A O no hydrogen 2.971 N/A ARG 512.A NH1 GLY 573.A O no hydrogen 2.844 N/A ARG 512.A NH2 GLY 573.A O no hydrogen 3.046 N/A LYS 513.A N PRO 436.A O no hydrogen 2.864 N/A ASP 514.A N LYS 518.A O no hydrogen 2.644 N/A LYS 515.A N GLU 570.A OE1 no hydrogen 3.379 N/A ASN 516.A N ASP 514.A OD1 no hydrogen 3.051 N/A GLY 517.A N ASP 514.A O no hydrogen 2.669 N/A LYS 518.A N ASP 514.A OD1 no hydrogen 2.710 N/A LYS 518.A NZ PHE 519.A O no hydrogen 3.448 N/A LEU 520.A N ARG 512.A O no hydrogen 3.036 N/A TRP 521.A NE1 ASN 527.A OD1 no hydrogen 2.729 N/A GLU 526.A N GLY 523.A O no hydrogen 3.061 N/A ASN 527.A N PHE 524.A O no hydrogen 2.999 N/A SER 528.A N GLY 525.A O no hydrogen 3.185 N/A SER 528.A OG GLY 525.A O no hydrogen 2.866 N/A ARG 529.A N GLU 526.A O no hydrogen 2.974 N/A ARG 529.A NE GLU 526.A OE1 no hydrogen 2.768 N/A ARG 529.A NH1 ASN 559.A O no hydrogen 2.897 N/A ARG 529.A NH1 LYS 561.A O no hydrogen 2.792 N/A ARG 529.A NH2 GLU 526.A OE1 no hydrogen 2.922 N/A ARG 529.A NH2 LYS 561.A O no hydrogen 3.087 N/A VAL 530.A N ASN 527.A O no hydrogen 3.000 N/A LEU 531.A N ASN 527.A O no hydrogen 3.139 N/A GLU 532.A N SER 528.A O no hydrogen 2.858 N/A TRP 533.A N ARG 529.A O no hydrogen 3.301 N/A TRP 533.A NE1 SER 543.A O no hydrogen 3.038 N/A MET 534.A N VAL 530.A O no hydrogen 3.058 N/A PHE 535.A N LEU 531.A O no hydrogen 2.874 N/A GLY 536.A N GLU 532.A O no hydrogen 3.085 N/A ARG 537.A N TRP 533.A O no hydrogen 2.980 N/A ARG 537.A NE GLU 444.A OE1 no hydrogen 2.600 N/A ARG 537.A NH1 GLU 541.A O no hydrogen 3.092 N/A ARG 537.A NH2 GLU 444.A OE1 no hydrogen 3.403 N/A ARG 537.A NH2 GLU 444.A OE2 no hydrogen 2.831 N/A ILE 538.A N MET 534.A O no hydrogen 2.935 N/A GLU 539.A N PHE 535.A O no hydrogen 3.063 N/A GLY 540.A N ARG 537.A O no hydrogen 2.962 N/A GLU 541.A N GLY 536.A O no hydrogen 2.985 N/A LYS 545.A N VAL 552.A O no hydrogen 2.806 N/A THR 547.A N GLY 550.A O no hydrogen 2.951 N/A THR 547.A OG1 GLY 550.A O no hydrogen 2.610 N/A ILE 549.A N THR 547.A OG1 no hydrogen 3.231 N/A GLY 550.A N THR 547.A O no hydrogen 3.186 N/A TYR 551.A N GLU 444.A O no hydrogen 2.906 N/A VAL 552.A N LYS 545.A O no hydrogen 2.989 N/A LYS 554.A N SER 543.A O no hydrogen 2.943 N/A LYS 554.A NZ ASP 542.A O no hydrogen 2.678 N/A LYS 554.A NZ ASP 542.A OD2 no hydrogen 3.468 N/A ALA 557.A N LYS 554.A O no hydrogen 2.999 N/A ASN 559.A ND2 GLU 532.A OE2 no hydrogen 3.161 N/A LYS 561.A N ASN 559.A OD1 no hydrogen 2.951 N/A LEU 563.A N LEU 560.A O no hydrogen 2.954 N/A ASN 567.A ND2 GLU 570.A OE2 no hydrogen 2.802 N/A VAL 568.A N VAL 566.A O no hydrogen 2.713 N/A GLU 569.A N GLU 569.A OE2 no hydrogen 2.881 N/A GLU 570.A N ASN 567.A OD1 no hydrogen 3.117 N/A LEU 571.A N ASN 567.A O no hydrogen 2.940 N/A PHE 572.A N VAL 568.A O no hydrogen 2.812 N/A GLY 573.A N GLU 570.A O no hydrogen 3.213 N/A LYS 576.A NZ SER 614.A O no hydrogen 3.456 N/A LYS 576.A NZ MET 616.A O no hydrogen 3.024 N/A PHE 578.A N SER 575.A OG no hydrogen 3.204 N/A TRP 579.A N SER 575.A O no hydrogen 2.900 N/A TRP 579.A NE1 GLY 438.A O no hydrogen 3.122 N/A GLU 580.A N LYS 576.A O no hydrogen 2.819 N/A LYS 581.A N GLU 577.A O no hydrogen 3.275 N/A LYS 581.A NZ GLU 585.A OE1 no hydrogen 2.692 N/A GLU 582.A N PHE 578.A O no hydrogen 2.911 N/A VAL 583.A N TRP 579.A O no hydrogen 2.928 N/A GLU 584.A N GLU 580.A O no hydrogen 3.133 N/A GLU 585.A N LYS 581.A O no hydrogen 3.005 N/A ILE 586.A N GLU 582.A O no hydrogen 2.894 N/A ASP 587.A N VAL 583.A O no hydrogen 2.913 N/A LYS 588.A N GLU 584.A O no hydrogen 2.966 N/A LYS 588.A NZ GLU 585.A OE1 no hydrogen 2.699 N/A TYR 589.A N GLU 585.A O no hydrogen 3.066 N/A LEU 590.A N ILE 586.A O no hydrogen 2.831 N/A GLU 591.A N ASP 587.A O no hydrogen 2.935 N/A ASP 592.A N LYS 588.A O no hydrogen 3.065 N/A GLN 593.A N TYR 589.A O no hydrogen 2.814 N/A GLN 593.A NE2 GLN 112.A O no hydrogen 2.971 N/A GLN 593.A NE2 ASP 592.A OD2 no hydrogen 3.056 N/A VAL 594.A N LEU 590.A O no hydrogen 2.846 N/A ASN 595.A N LEU 590.A O no hydrogen 3.128 N/A ASN 595.A ND2 ILE 107.A O no hydrogen 3.077 N/A ASP 597.A N VAL 594.A O no hydrogen 2.956 N/A LEU 598.A N ASN 595.A O no hydrogen 3.237 N/A ILE 602.A N PRO 599.A O no hydrogen 2.925 N/A GLU 603.A N PRO 599.A O no hydrogen 3.098 N/A ARG 604.A N TYR 600.A O no hydrogen 2.856 N/A GLU 605.A N GLU 601.A O no hydrogen 3.107 N/A LEU 606.A N ILE 602.A O no hydrogen 3.005 N/A ARG 607.A N GLU 603.A O no hydrogen 2.967 N/A ARG 607.A NE GLU 603.A OE2 no hydrogen 2.824 N/A ALA 608.A N ARG 604.A O no hydrogen 2.855 N/A LEU 609.A N GLU 605.A O no hydrogen 2.978 N/A LYS 610.A N LEU 606.A O no hydrogen 3.010 N/A LYS 610.A NZ.A ASP 587.A OD2 no hydrogen 2.556 N/A GLN 611.A N ARG 607.A O no hydrogen 2.957 N/A ARG 612.A N ALA 608.A O no hydrogen 2.897 N/A ARG 612.A NE PRO 548.A O no hydrogen 2.698 N/A ARG 612.A NH2 PRO 548.A O no hydrogen 3.372 N/A ILE 613.A N LEU 609.A O no hydrogen 2.904 N/A SER 614.A N LYS 610.A O no hydrogen 2.910 N/A SER 614.A OG GLN 611.A O no hydrogen 2.632 N/A GLN 615.A N GLN 611.A O no hydrogen 3.280 N/A GLN 615.A N ARG 612.A O no hydrogen 3.322 N/A MET 616.A N ILE 613.A O no hydrogen 3.087 N/A