Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wmc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N LEU 17.A O no hydrogen 2.774 N/A TRP 7.A N LEU 28.A O no hydrogen 2.911 N/A TRP 7.A NE1 GLN 565.A O no hydrogen 2.798 N/A SER 8.A N VAL 15.A O no hydrogen 3.071 N/A ASP 10.A N LYS 13.A O no hydrogen 2.766 N/A ASN 11.A ND2 ASP 10.A OD1 no hydrogen 3.155 N/A LYS 13.A N ASP 10.A O no hydrogen 3.094 N/A CYS 14.A N GLU 567.A OE2 no hydrogen 2.949 N/A VAL 15.A N SER 8.A O no hydrogen 2.883 N/A LEU 17.A N ARG 6.A O no hydrogen 2.804 N/A ASN 19.A N VAL 4.A O no hydrogen 3.173 N/A ASP 20.A N LYS 18.A O no hydrogen 3.039 N/A GLU 25.A N SER 23.A OG no hydrogen 3.222 N/A CYS 33.A N SER 29.A O no hydrogen 2.979 N/A LYS 34.A N LEU 30.A O no hydrogen 3.010 N/A LYS 34.A NZ TYR 564.A O no hydrogen 3.109 N/A LYS 34.A NZ GLU 567.A OE1 no hydrogen 2.524 N/A MET 35.A N GLU 31.A O no hydrogen 3.009 N/A PHE 36.A N CYS 33.A O no hydrogen 3.251 N/A CYS 37.A N CYS 33.A O no hydrogen 2.849 N/A ASN 38.A N LYS 34.A O no hydrogen 3.089 N/A TYR 40.A N ASN 38.A OD1 no hydrogen 2.959 N/A GLY 41.A N ASN 38.A O no hydrogen 3.076 N/A LEU 43.A N TYR 40.A O no hydrogen 3.124 N/A TRP 44.A N GLN 162.A OE1 no hydrogen 2.830 N/A TRP 44.A NE1 ALA 520.A O no hydrogen 2.794 N/A ARG 46.A N GLU 524.A OE1 no hydrogen 2.988 N/A ARG 46.A NE PRO 47.A O no hydrogen 3.369 N/A ARG 46.A NH2 PRO 47.A O no hydrogen 3.272 N/A THR 48.A N ASP 183.A OD2 no hydrogen 2.749 N/A THR 48.A OG1 ASP 183.A OD2 no hydrogen 3.143 N/A THR 48.A OG1 LYS 184.A O no hydrogen 2.752 N/A GLY 49.A N SER 182.A O no hydrogen 3.090 N/A GLU 50.A N SER 182.A OG no hydrogen 2.788 N/A ASP 52.A N ASN 180.A O no hydrogen 3.015 N/A GLY 54.A N ASP 52.A OD1 no hydrogen 3.170 N/A SER 58.A N MET 175.A O no hydrogen 2.692 N/A LYS 59.A NZ THR 103.A OG1 no hydrogen 3.270 N/A ILE 60.A N LEU 173.A O no hydrogen 2.784 N/A ASN 61.A N LYS 105.A O no hydrogen 3.022 N/A ASN 63.A N ASN 61.A OD1 no hydrogen 3.009 N/A SER 64.A N ASN 61.A O no hydrogen 2.937 N/A GLU 66.A N VAL 107.A O no hydrogen 2.862 N/A LYS 68.A N VAL 109.A O no hydrogen 2.621 N/A LYS 68.A NZ GLU 66.A OE1 no hydrogen 3.262 N/A LEU 70.A N LEU 111.A O no hydrogen 2.901 N/A LYS 72.A NZ ILE 69.A O no hydrogen 2.320 N/A GLY 73.A N ASP 76.A OD2 no hydrogen 2.838 N/A ALA 74.A N ASN 117.A OD1 no hydrogen 2.779 N/A THR 75.A N PRO 116.A O no hydrogen 2.823 N/A THR 75.A OG1 PRO 116.A O no hydrogen 2.785 N/A ASP 76.A N GLY 73.A O no hydrogen 3.221 N/A MET 79.A N THR 75.A O no hydrogen 2.784 N/A GLU 80.A N ASP 76.A O no hydrogen 2.830 N/A ALA 81.A N ASP 77.A O no hydrogen 3.046 N/A ALA 82.A N LEU 78.A O no hydrogen 2.876 N/A ALA 83.A N MET 79.A O no hydrogen 2.847 N/A LYS 84.A N GLU 80.A O no hydrogen 3.024 N/A ARG 85.A N ALA 81.A O no hydrogen 3.168 N/A ARG 85.A N ALA 82.A O no hydrogen 3.293 N/A ARG 85.A NH1 GLU 267.A O no hydrogen 2.981 N/A PHE 86.A N ALA 83.A O no hydrogen 3.151 N/A LYS 87.A NZ ASN 63.A OD1 no hydrogen 3.156 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.826 N/A GLN 89.A N ARG 85.A O no hydrogen 3.209 N/A GLN 89.A NE2 GLU 158.A OE1 no hydrogen 3.132 N/A VAL 90.A N PHE 86.A O no hydrogen 2.963 N/A SER 91.A N LYS 87.A O no hydrogen 3.020 N/A SER 91.A OG LYS 87.A O no hydrogen 2.907 N/A LEU 92.A N GLN 89.A O no hydrogen 3.068 N/A ALA 93.A N VAL 90.A O no hydrogen 3.017 N/A ILE 94.A N SER 91.A O no hydrogen 2.945 N/A ARG 96.A NH1 VAL 549.A O no hydrogen 3.148 N/A SER 98.A N PRO 95.A O no hydrogen 3.029 N/A LYS 101.A N ASP 171.A O no hydrogen 2.888 N/A LYS 101.A NZ HIS 172.A NE2 no hydrogen 3.431 N/A THR 103.A N LYS 101.A O no hydrogen 2.969 N/A LYS 105.A N LYS 59.A O no hydrogen 2.907 N/A ALA 106.A N ASP 139.A O no hydrogen 3.097 N/A VAL 107.A N SER 64.A O no hydrogen 2.889 N/A ASP 108.A N VAL 141.A O no hydrogen 2.738 N/A VAL 109.A N GLU 66.A O no hydrogen 2.782 N/A TYR 110.A N ALA 143.A O no hydrogen 2.740 N/A LEU 111.A N LYS 68.A O no hydrogen 2.706 N/A VAL 112.A N ILE 145.A O no hydrogen 2.819 N/A GLU 114.A N ALA 147.A O no hydrogen 2.876 N/A ASN 115.A N ASN 113.A OD1 no hydrogen 3.112 N/A ASN 115.A ND2 ASN 148.A O no hydrogen 2.738 N/A GLU 118.A N ASN 115.A O no hydrogen 3.143 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.880 N/A MET 125.A N SER 122.A O no hydrogen 3.206 N/A SER 128.A N ASP 126.A OD2 no hydrogen 2.982 N/A SER 128.A OG ASP 126.A OD2 no hydrogen 2.720 N/A TYR 129.A N ASP 183.A O no hydrogen 3.064 N/A TYR 129.A OH ASP 183.A OD1 no hydrogen 2.824 N/A GLY 130.A N THR 146.A O no hydrogen 2.645 N/A LEU 131.A N ILE 181.A O no hydrogen 2.649 N/A ARG 132.A N THR 144.A O no hydrogen 3.013 N/A VAL 133.A N VAL 179.A O no hydrogen 2.899 N/A SER 134.A N ASN 142.A O no hydrogen 3.077 N/A SER 136.A N ARG 140.A O no hydrogen 2.696 N/A ARG 140.A N SER 136.A O no hydrogen 3.078 N/A ARG 140.A NH1 ASP 108.A OD2 no hydrogen 2.997 N/A VAL 141.A N ALA 106.A O no hydrogen 2.696 N/A ASN 142.A N SER 134.A O no hydrogen 2.831 N/A ALA 143.A N ASP 108.A O no hydrogen 2.826 N/A THR 144.A N ARG 132.A O no hydrogen 2.759 N/A THR 144.A OG1 ASN 142.A OD1 no hydrogen 2.888 N/A ILE 145.A N TYR 110.A O no hydrogen 2.930 N/A THR 146.A N GLY 130.A O no hydrogen 2.892 N/A ALA 147.A N VAL 112.A O no hydrogen 2.922 N/A ASN 148.A ND2 ASP 126.A OD1 no hydrogen 2.630 N/A SER 149.A OG ASP 126.A O no hydrogen 2.669 N/A MET 153.A N SER 149.A O no hydrogen 3.010 N/A ARG 154.A N PHE 150.A O no hydrogen 2.736 N/A ARG 154.A NH1 HIS 155.A ND1 no hydrogen 2.951 N/A ARG 154.A NH1 ALA 214.A O no hydrogen 2.944 N/A ARG 154.A NH2 GLU 158.A OE2 no hydrogen 2.792 N/A ARG 154.A NH2 ALA 214.A O no hydrogen 3.488 N/A HIS 155.A N PHE 151.A O no hydrogen 3.076 N/A HIS 155.A NE2 GLU 127.A OE2 no hydrogen 3.061 N/A GLY 156.A N GLY 152.A O no hydrogen 2.981 N/A LEU 157.A N MET 153.A O no hydrogen 3.030 N/A GLU 158.A N ARG 154.A O no hydrogen 3.184 N/A THR 159.A N HIS 155.A O no hydrogen 2.978 N/A THR 159.A OG1 TYR 129.A OH no hydrogen 2.564 N/A THR 159.A OG1 HIS 155.A O no hydrogen 3.284 N/A LEU 160.A N GLY 156.A O no hydrogen 2.854 N/A SER 161.A N LEU 157.A O no hydrogen 3.039 N/A SER 161.A OG LEU 157.A O no hydrogen 3.567 N/A SER 161.A OG GLU 158.A O no hydrogen 2.709 N/A GLN 162.A N GLU 158.A O no hydrogen 3.339 N/A GLN 162.A N THR 159.A O no hydrogen 2.985 N/A GLN 162.A NE2 TRP 44.A O no hydrogen 2.927 N/A LEU 163.A N LEU 160.A O no hydrogen 2.929 N/A VAL 165.A N LEU 174.A O no hydrogen 2.838 N/A ASP 167.A N HIS 172.A O no hydrogen 2.776 N/A ILE 169.A N ASP 167.A OD2 no hydrogen 2.859 N/A ARG 170.A N ASP 167.A OD2 no hydrogen 2.974 N/A ARG 170.A NH1 ALA 27.A O no hydrogen 2.926 N/A ARG 170.A NH2 ALA 27.A O no hydrogen 3.025 N/A ARG 170.A NH2 ASP 167.A OD1 no hydrogen 2.785 N/A HIS 172.A N ASP 167.A O no hydrogen 3.086 N/A LEU 174.A N VAL 165.A O no hydrogen 2.670 N/A MET 175.A N SER 58.A O no hydrogen 2.803 N/A VAL 176.A N LEU 163.A O no hydrogen 3.055 N/A ARG 177.A N PHE 56.A O no hydrogen 2.996 N/A ARG 177.A NE ASP 178.A OD2 no hydrogen 2.976 N/A VAL 179.A N VAL 133.A O no hydrogen 2.893 N/A ASN 180.A N ASP 52.A O no hydrogen 2.890 N/A ASN 180.A ND2 GLU 50.A OE2 no hydrogen 3.443 N/A ILE 181.A N LEU 131.A O no hydrogen 2.724 N/A SER 182.A N GLU 50.A O no hydrogen 3.100 N/A ASP 183.A N TYR 129.A O no hydrogen 3.126 N/A LYS 184.A N THR 48.A OG1 no hydrogen 3.093 N/A VAL 186.A N TRP 527.A O no hydrogen 2.906 N/A TYR 187.A N LEU 526.A O no hydrogen 3.295 N/A TYR 187.A OH GLU 529.A OE1 no hydrogen 2.609 N/A TYR 189.A N LEU 495.A O no hydrogen 2.863 N/A TYR 189.A OH GLU 498.A OE2 no hydrogen 2.579 N/A ARG 190.A N ASN 219.A OD1 no hydrogen 3.090 N/A ARG 190.A NE LYS 217.A O no hydrogen 3.021 N/A ARG 190.A NH1 GLU 127.A OE1 no hydrogen 2.854 N/A ARG 190.A NH1 TYR 187.A O no hydrogen 2.827 N/A ARG 190.A NH2 GLU 127.A OE1 no hydrogen 3.417 N/A ARG 190.A NH2 GLU 127.A OE2 no hydrogen 2.874 N/A ARG 190.A NH2 LYS 217.A O no hydrogen 2.810 N/A GLY 191.A N GLY 497.A O no hydrogen 2.926 N/A ILE 192.A N THR 220.A O no hydrogen 2.957 N/A LEU 193.A N ALA 499.A O no hydrogen 2.754 N/A LEU 194.A N HIS 222.A O no hydrogen 2.834 N/A ASP 195.A N LEU 501.A O no hydrogen 3.196 N/A THR 196.A N HIS 224.A O no hydrogen 2.993 N/A ALA 197.A N ASP 195.A OD2 no hydrogen 2.895 N/A ARG 198.A N ASP 195.A OD2 no hydrogen 3.009 N/A ARG 198.A NE GLN 229.A OE1 no hydrogen 2.941 N/A ARG 198.A NH1 ASP 195.A OD1 no hydrogen 3.022 N/A ASN 199.A ND2 SER 503.A O no hydrogen 2.856 N/A ASN 199.A ND2 SER 506.A O no hydrogen 3.546 N/A TYR 200.A OH VAL 252.A O no hydrogen 2.724 N/A TYR 201.A N TYR 253.A OH no hydrogen 3.055 N/A TYR 201.A OH SER 503.A OG no hydrogen 2.539 N/A TYR 201.A OH SER 506.A OG no hydrogen 2.760 N/A SER 202.A N THR 508.A OG1 no hydrogen 2.846 N/A SER 202.A OG SER 205.A OG no hydrogen 3.199 N/A SER 205.A N SER 202.A OG no hydrogen 3.036 N/A SER 205.A OG SER 202.A O no hydrogen 2.686 N/A SER 205.A OG SER 202.A OG no hydrogen 3.199 N/A ILE 206.A N SER 202.A O no hydrogen 3.121 N/A LYS 207.A N ILE 203.A O no hydrogen 2.962 N/A ARG 208.A N GLU 204.A O no hydrogen 2.974 N/A ARG 208.A NE ASP 512.A OD1 no hydrogen 2.931 N/A ARG 208.A NH2 ASP 512.A OD1 no hydrogen 3.293 N/A THR 209.A N SER 205.A O no hydrogen 2.990 N/A THR 209.A OG1 SER 205.A O no hydrogen 2.807 N/A ILE 210.A N ILE 206.A O no hydrogen 3.031 N/A GLU 211.A N LYS 207.A O no hydrogen 2.862 N/A ALA 212.A N ARG 208.A O no hydrogen 3.072 N/A MET 213.A N THR 209.A O no hydrogen 2.939 N/A ALA 214.A N ILE 210.A O no hydrogen 3.030 N/A ALA 215.A N GLU 211.A O no hydrogen 3.179 N/A VAL 216.A N MET 213.A O no hydrogen 3.091 N/A LYS 217.A N ALA 214.A O no hydrogen 3.223 N/A LYS 217.A NZ THR 159.A OG1 no hydrogen 2.784 N/A LEU 218.A N MET 213.A O no hydrogen 2.974 N/A ASN 219.A N ARG 190.A O no hydrogen 2.912 N/A ASN 219.A ND2 GLU 127.A OE2 no hydrogen 3.103 N/A ASN 219.A ND2 PRO 188.A O no hydrogen 2.816 N/A THR 220.A N ARG 190.A O no hydrogen 3.218 N/A THR 220.A OG1 ASN 219.A OD1 no hydrogen 2.883 N/A LEU 221.A N ARG 271.A O no hydrogen 2.809 N/A HIS 222.A N ILE 192.A O no hydrogen 2.829 N/A HIS 222.A ND1 GLU 498.A OE1 no hydrogen 2.608 N/A HIS 222.A NE2 GLU 275.A OE1 no hydrogen 2.594 N/A TRP 223.A N LEU 273.A O no hydrogen 2.761 N/A TRP 223.A NE1 THR 196.A OG1 no hydrogen 2.841 N/A HIS 224.A N LEU 194.A O no hydrogen 2.930 N/A HIS 224.A ND1 GLU 275.A OE1 no hydrogen 2.704 N/A HIS 224.A NE2 ASP 227.A OD2 no hydrogen 2.723 N/A ASP 227.A N SER 230.A O no hydrogen 3.336 N/A SER 228.A N ASP 227.A OD1 no hydrogen 2.741 N/A SER 228.A OG GLN 229.A OE1 no hydrogen 3.207 N/A SER 228.A OG PRO 308.A O no hydrogen 3.096 N/A GLN 229.A N GLN 229.A OE1 no hydrogen 2.717 N/A GLN 229.A NE2 GLU 306.A OE1 no hydrogen 3.200 N/A GLN 229.A NE2 PRO 307.A O no hydrogen 3.391 N/A SER 230.A OG ALA 197.A O no hydrogen 2.582 N/A PHE 231.A N GLY 245.A O no hydrogen 2.954 N/A VAL 234.A N TYR 253.A O no hydrogen 3.116 N/A THR 235.A OG1 ASP 329.A OD1 no hydrogen 2.592 N/A LYS 237.A N ASP 329.A OD1 no hydrogen 2.894 N/A ARG 238.A N THR 235.A OG1 no hydrogen 3.150 N/A ARG 238.A NE ASP 325.A OD1 no hydrogen 2.756 N/A ARG 238.A NH2 ASP 325.A OD1 no hydrogen 3.050 N/A LEU 241.A N ARG 238.A O no hydrogen 3.052 N/A LYS 243.A N PRO 239.A O no hydrogen 3.070 N/A PHE 244.A N ASN 240.A O no hydrogen 2.912 N/A ALA 246.A N TYR 242.A O no hydrogen 2.876 N/A GLN 250.A N SER 248.A OG no hydrogen 3.181 N/A LYS 251.A N SER 248.A O no hydrogen 2.988 N/A LYS 251.A N SER 248.A OG no hydrogen 3.188 N/A TYR 253.A N PRO 232.A O no hydrogen 2.782 N/A TYR 253.A OH TYR 201.A O no hydrogen 2.499 N/A ALA 257.A N THR 254.A OG1 no hydrogen 2.994 N/A ILE 258.A N THR 254.A O no hydrogen 2.938 N/A ARG 259.A N LYS 255.A O no hydrogen 2.923 N/A GLU 260.A N ALA 256.A O no hydrogen 3.070 N/A VAL 261.A N ALA 257.A O no hydrogen 2.999 N/A VAL 262.A N ILE 258.A O no hydrogen 2.828 N/A ARG 263.A N ARG 259.A O no hydrogen 2.966 N/A ARG 263.A NE GLU 267.A OE2 no hydrogen 3.316 N/A ARG 263.A NH1 ASP 77.A OD2 no hydrogen 3.318 N/A ARG 263.A NH2 ASP 77.A OD2 no hydrogen 2.835 N/A PHE 264.A N GLU 260.A O no hydrogen 2.835 N/A GLY 265.A N VAL 261.A O no hydrogen 2.881 N/A LEU 266.A N VAL 262.A O no hydrogen 2.967 N/A GLU 267.A N ARG 263.A O no hydrogen 2.983 N/A ARG 268.A N GLY 265.A O no hydrogen 2.904 N/A ARG 268.A NH1 PHE 264.A O no hydrogen 3.049 N/A ARG 268.A NH1 GLU 267.A OE1 no hydrogen 3.010 N/A GLY 269.A N LEU 266.A O no hydrogen 3.073 N/A VAL 270.A N GLY 265.A O no hydrogen 2.658 N/A ARG 271.A N ASN 219.A O no hydrogen 2.716 N/A ARG 271.A NE ASP 338.A OD1 no hydrogen 2.672 N/A ARG 271.A NH1 THR 220.A OG1 no hydrogen 2.976 N/A ARG 271.A NH2 ASP 338.A OD1 no hydrogen 3.372 N/A ARG 271.A NH2 ASP 338.A OD2 no hydrogen 3.057 N/A LEU 273.A N LEU 221.A O no hydrogen 2.811 N/A GLU 275.A N TRP 223.A O no hydrogen 3.062 N/A PHE 276.A N HIS 341.A O no hydrogen 3.139 N/A HIS 281.A ND1 ASP 227.A OD1 no hydrogen 2.842 N/A HIS 281.A NE2 GLU 346.A OE1 no hydrogen 3.002 N/A GLU 284.A N SER 228.A O no hydrogen 2.990 N/A GLY 285.A N GLN 287.A OE1 no hydrogen 2.752 N/A TRP 286.A N GLY 283.A O no hydrogen 3.195 N/A GLN 287.A N GLN 287.A OE1 no hydrogen 2.868 N/A GLN 287.A NE2 GLU 284.A OE2 no hydrogen 2.878 N/A THR 289.A N TRP 286.A O no hydrogen 3.214 N/A THR 289.A OG1 TRP 286.A O no hydrogen 2.695 N/A LEU 291.A N THR 289.A OG1 no hydrogen 3.087 N/A VAL 293.A N GLN 311.A O no hydrogen 2.788 N/A CYS 294.A SG CYS 351.A O no hydrogen 3.057 N/A CYS 294.A SG SER 354.A OG no hydrogen 3.719 N/A LYS 296.A N CYS 309.A O no hydrogen 3.157 N/A ALA 297.A N CYS 294.A O no hydrogen 3.000 N/A TRP 300.A N GLU 298.A OE2 no hydrogen 3.137 N/A SER 302.A N PRO 299.A O no hydrogen 3.031 N/A TYR 303.A N TRP 300.A O no hydrogen 2.953 N/A CYS 304.A N TRP 300.A O no hydrogen 2.976 N/A CYS 304.A SG TRP 300.A O no hydrogen 3.704 N/A CYS 304.A SG GLU 306.A O no hydrogen 3.210 N/A CYS 309.A SG TRP 300.A O no hydrogen 3.375 N/A GLN 311.A N VAL 293.A O no hydrogen 3.005 N/A GLN 311.A NE2 SER 348.A O no hydrogen 3.295 N/A LEU 312.A N PRO 279.A O no hydrogen 2.785 N/A ASN 313.A N LEU 291.A O no hydrogen 2.719 N/A ASN 313.A ND2 SER 357.A OG no hydrogen 3.050 N/A THR 315.A N ASN 313.A OD1 no hydrogen 2.958 N/A THR 315.A OG1 ASN 313.A OD1 no hydrogen 2.650 N/A LYS 316.A N ASN 313.A O no hydrogen 3.291 N/A LEU 319.A N LYS 316.A O no hydrogen 3.073 N/A TYR 320.A N ASP 317.A O no hydrogen 3.183 N/A TYR 320.A OH PRO 314.A O no hydrogen 2.772 N/A GLN 321.A N GLU 318.A O no hydrogen 3.020 N/A TYR 322.A N GLU 318.A O no hydrogen 3.118 N/A LEU 323.A N LEU 319.A O no hydrogen 2.859 N/A GLU 324.A N TYR 320.A O no hydrogen 2.948 N/A ASP 325.A N GLN 321.A O no hydrogen 3.197 N/A ILE 326.A N TYR 322.A O no hydrogen 2.928 N/A TYR 327.A N LEU 323.A O no hydrogen 2.887 N/A SER 328.A N GLU 324.A O no hydrogen 2.969 N/A SER 328.A OG GLU 324.A O no hydrogen 2.881 N/A ASP 329.A N ASP 325.A O no hydrogen 2.892 N/A MET 330.A N ILE 326.A O no hydrogen 2.858 N/A ALA 331.A N TYR 327.A O no hydrogen 2.784 N/A GLU 332.A N SER 328.A O no hydrogen 3.047 N/A PHE 334.A N MET 330.A O no hydrogen 2.814 N/A THR 337.A OG1 ILE 339.A O no hydrogen 2.643 N/A ASP 338.A N ASP 338.A OD1 no hydrogen 2.440 N/A ILE 339.A N THR 337.A OG1 no hydrogen 3.217 N/A PHE 340.A N PRO 398.A O no hydrogen 3.160 N/A HIS 341.A N PRO 274.A O no hydrogen 3.383 N/A HIS 341.A NE2 GLN 424.A OE1 no hydrogen 2.930 N/A MET 342.A N ILE 400.A O no hydrogen 2.870 N/A GLY 343.A N HIS 341.A ND1 no hydrogen 2.952 N/A GLY 344.A N ALA 278.A O no hydrogen 3.140 N/A SER 348.A N GLN 311.A OE1 no hydrogen 2.535 N/A SER 348.A OG TYR 303.A O no hydrogen 2.894 N/A GLU 349.A N GLU 349.A OE1 no hydrogen 2.807 N/A CYS 351.A N SER 348.A OG no hydrogen 3.044 N/A CYS 351.A SG VAL 293.A O no hydrogen 3.757 N/A TRP 352.A N SER 348.A O no hydrogen 3.373 N/A TRP 352.A NE1 LEU 312.A O no hydrogen 2.962 N/A ASN 353.A N GLU 349.A O no hydrogen 2.959 N/A SER 354.A N ALA 350.A O no hydrogen 3.223 N/A SER 354.A N CYS 351.A O no hydrogen 3.248 N/A SER 354.A OG CYS 351.A O no hydrogen 2.799 N/A SER 355.A N TRP 352.A O no hydrogen 3.403 N/A SER 357.A OG SER 355.A OG no hydrogen 3.136 N/A ILE 358.A N SER 355.A OG no hydrogen 3.291 N/A GLN 359.A N SER 355.A O no hydrogen 3.067 N/A ASN 360.A N ASP 356.A O no hydrogen 3.000 N/A PHE 361.A N SER 357.A O no hydrogen 3.209 N/A MET 362.A N ILE 358.A O no hydrogen 3.051 N/A MET 363.A N GLN 359.A O no hydrogen 3.024 N/A GLN 364.A N ASN 360.A O no hydrogen 2.878 N/A ARG 366.A N MET 363.A O no hydrogen 2.778 N/A TRP 367.A N MET 362.A O no hydrogen 2.790 N/A ASP 368.A N SER 373.A OG no hydrogen 3.219 N/A SER 373.A N ASP 370.A O no hydrogen 2.876 N/A LYS 376.A N SER 373.A O no hydrogen 2.950 N/A LEU 377.A N SER 373.A O no hydrogen 3.253 N/A TRP 378.A N PHE 374.A O no hydrogen 2.886 N/A ASN 379.A N LEU 375.A O no hydrogen 2.858 N/A TYR 380.A N LYS 376.A O no hydrogen 2.863 N/A PHE 381.A N LEU 377.A O no hydrogen 2.901 N/A GLN 382.A N TRP 378.A O no hydrogen 2.871 N/A GLN 382.A NE2 TYR 421.A OH no hydrogen 2.976 N/A GLN 383.A N ASN 379.A O no hydrogen 3.024 N/A LYS 384.A N TYR 380.A O no hydrogen 3.369 N/A ALA 385.A N PHE 381.A O no hydrogen 2.900 N/A GLN 386.A N GLN 382.A O no hydrogen 2.830 N/A GLN 386.A NE2 GLN 383.A OE1 no hydrogen 3.188 N/A ASP 387.A N GLN 383.A O no hydrogen 3.182 N/A LYS 388.A N LYS 384.A O no hydrogen 3.180 N/A LYS 388.A NZ GLU 324.A OE1 no hydrogen 2.893 N/A ALA 389.A N ALA 385.A O no hydrogen 2.895 N/A TYR 390.A N GLN 386.A O no hydrogen 3.069 N/A LYS 391.A N ASP 387.A O no hydrogen 3.140 N/A LYS 391.A NZ GLU 324.A OE2 no hydrogen 2.715 N/A ALA 392.A N LYS 388.A O no hydrogen 2.918 N/A PHE 393.A N ALA 389.A O no hydrogen 3.010 N/A GLY 394.A N LYS 391.A O no hydrogen 3.289 N/A LYS 395.A N TYR 390.A O no hydrogen 3.091 N/A LYS 396.A NZ ASP 420.A OD1 no hydrogen 3.343 N/A LYS 396.A NZ ASP 420.A OD2 no hydrogen 2.884 N/A LEU 399.A N ASP 420.A O no hydrogen 2.890 N/A ILE 400.A N PHE 340.A O no hydrogen 2.929 N/A LEU 401.A N ILE 422.A O no hydrogen 3.026 N/A TRP 402.A N GLY 343.A O no hydrogen 2.847 N/A THR 403.A N GLN 424.A O no hydrogen 2.904 N/A SER 404.A N THR 407.A OG1 no hydrogen 2.709 N/A SER 404.A OG GLY 344.A O no hydrogen 3.515 N/A LEU 406.A N SER 404.A OG no hydrogen 3.114 N/A THR 407.A N SER 404.A O no hydrogen 3.154 N/A THR 407.A OG1 TRP 402.A O no hydrogen 3.343 N/A THR 407.A OG1 SER 404.A O no hydrogen 3.282 N/A TYR 409.A N GLN 433.A OE1 no hydrogen 3.047 N/A LYS 410.A N ASN 408.A OD1 no hydrogen 3.204 N/A HIS 411.A N ASN 408.A O no hydrogen 3.058 N/A HIS 411.A NE2 THR 405.A O no hydrogen 2.843 N/A ASP 414.A N HIS 411.A O no hydrogen 2.856 N/A TYR 415.A N ILE 412.A O no hydrogen 2.947 N/A LEU 416.A N ILE 412.A O no hydrogen 2.718 N/A ASN 417.A ND2 ASP 420.A OD2 no hydrogen 2.875 N/A ASP 419.A N ASN 417.A OD1 no hydrogen 2.856 N/A ASP 420.A N ASN 417.A O no hydrogen 3.327 N/A ASP 420.A N ASN 417.A OD1 no hydrogen 2.909 N/A TYR 421.A N ASN 417.A O no hydrogen 3.170 N/A TYR 421.A OH GLN 386.A OE1 no hydrogen 2.710 N/A ILE 422.A N LEU 399.A O no hydrogen 2.702 N/A ILE 423.A N ARG 443.A O no hydrogen 2.969 N/A GLN 424.A N LEU 401.A O no hydrogen 2.820 N/A GLN 424.A NE2 SER 447.A OG no hydrogen 2.868 N/A GLN 424.A NE2 GLU 498.A OE1 no hydrogen 2.791 N/A VAL 425.A N ILE 445.A O no hydrogen 2.785 N/A TRP 426.A NE1.A THR 403.A O no hydrogen 3.181 N/A THR 427.A OG1 THR 428.A O no hydrogen 3.100 N/A ASP 431.A N THR 428.A O no hydrogen 3.201 N/A GLN 433.A N ASP 431.A OD2 no hydrogen 2.832 N/A GLN 433.A NE2 ASN 408.A OD1 no hydrogen 2.825 N/A ILE 434.A N ASP 431.A O no hydrogen 3.232 N/A LYS 435.A NZ GLU 439.A OE2 no hydrogen 2.984 N/A GLY 436.A N PRO 432.A O no hydrogen 3.024 N/A LEU 437.A N GLN 433.A O no hydrogen 2.786 N/A LEU 438.A N ILE 434.A O no hydrogen 2.960 N/A GLU 439.A N LYS 435.A O no hydrogen 2.913 N/A LYS 440.A N GLY 436.A O no hydrogen 3.265 N/A LYS 440.A N LEU 437.A O no hydrogen 3.016 N/A GLY 441.A N LEU 438.A O no hydrogen 2.909 N/A TYR 442.A N LEU 437.A O no hydrogen 3.125 N/A TYR 442.A OH ASP 413.A OD1 no hydrogen 2.643 N/A ARG 443.A NH1 LYS 418.A O no hydrogen 3.327 N/A ARG 443.A NH1 ASP 419.A O no hydrogen 3.361 N/A LEU 444.A N GLN 493.A O no hydrogen 3.103 N/A ILE 445.A N ILE 423.A O no hydrogen 2.995 N/A MET 446.A N GLY 496.A O no hydrogen 2.965 N/A SER 447.A N VAL 425.A O no hydrogen 2.753 N/A SER 447.A OG GLU 498.A O no hydrogen 2.881 N/A ASN 448.A ND2 ASP 450.A OD1 no hydrogen 3.335 N/A ASN 448.A ND2 ASN 481.A OD1 no hydrogen 2.724 N/A TYR 449.A N TRP 426.A O no hydrogen 3.274 N/A ALA 451.A N ASN 448.A O no hydrogen 3.019 N/A LEU 452.A N ASN 448.A O no hydrogen 2.788 N/A PHE 454.A N ALA 500.A O no hydrogen 2.885 N/A ASP 455.A N ASP 455.A OD1 no hydrogen 2.601 N/A CYS 456.A N TYR 453.A O no hydrogen 3.485 N/A CYS 456.A SG TYR 453.A O no hydrogen 3.275 N/A GLY 457.A N ASN 467.A OD1 no hydrogen 2.937 N/A ALA 460.A N GLY 465.A O no hydrogen 2.965 N/A ASN 466.A ND2 GLY 457.A O no hydrogen 3.306 N/A ASN 466.A ND2 TYR 458.A O no hydrogen 3.231 N/A ASN 467.A N TYR 458.A O no hydrogen 2.798 N/A ASN 467.A ND2 ASP 455.A O no hydrogen 2.951 N/A ASN 467.A ND2 GLN 505.A OE1 no hydrogen 2.986 N/A SER 470.A N ASN 467.A O no hydrogen 3.131 N/A SER 470.A OG ASN 467.A O no hydrogen 2.797 N/A SER 470.A OG ASN 467.A OD1 no hydrogen 3.030 N/A GLN 476.A N GLN 476.A OE1 no hydrogen 2.618 N/A LYS 477.A N GLY 474.A O no hydrogen 3.048 N/A LYS 477.A NZ ASP 450.A O no hydrogen 2.872 N/A VAL 478.A N GLY 474.A O no hydrogen 3.277 N/A TYR 479.A N TRP 475.A O no hydrogen 2.824 N/A TYR 479.A OH GLU 524.A OE2 no hydrogen 2.434 N/A ASP 480.A N GLN 476.A O no hydrogen 3.138 N/A ASN 481.A N LYS 477.A O no hydrogen 3.262 N/A ASN 481.A ND2 ASN 448.A OD1 no hydrogen 3.218 N/A SER 482.A OG GLU 529.A OE1 no hydrogen 3.235 N/A SER 482.A OG GLU 529.A OE2 no hydrogen 2.871 N/A ALA 484.A N GLU 529.A OE1 no hydrogen 2.931 N/A VAL 485.A N SER 482.A OG no hydrogen 3.326 N/A ILE 486.A N SER 482.A O no hydrogen 2.943 N/A ALA 487.A N PRO 483.A O no hydrogen 2.759 N/A LEU 488.A N ALA 484.A O no hydrogen 2.833 N/A GLU 489.A N GLU 489.A OE1 no hydrogen 2.853 N/A HIS 490.A N ALA 487.A O no hydrogen 3.354 N/A HIS 490.A ND1 GLN 493.A OE1 no hydrogen 3.108 N/A ARG 491.A N LEU 488.A O no hydrogen 2.614 N/A GLN 493.A N HIS 490.A O no hydrogen 2.874 N/A GLN 493.A NE2 LEU 438.A O no hydrogen 2.909 N/A GLN 493.A NE2 TYR 442.A O no hydrogen 2.997 N/A VAL 494.A N ARG 491.A O no hydrogen 2.847 N/A LEU 495.A N LEU 444.A O no hydrogen 2.899 N/A GLY 497.A N TYR 189.A O no hydrogen 3.062 N/A GLU 498.A N MET 446.A O no hydrogen 2.943 N/A ALA 499.A N GLY 191.A O no hydrogen 3.068 N/A ALA 500.A N LEU 452.A O no hydrogen 2.869 N/A LEU 501.A N LEU 193.A O no hydrogen 2.906 N/A SER 503.A N ASP 195.A OD1 no hydrogen 2.902 N/A SER 503.A OG ASP 195.A O no hydrogen 2.600 N/A SER 503.A OG TYR 201.A OH no hydrogen 2.539 N/A SER 503.A OG LEU 501.A O no hydrogen 3.516 N/A GLU 504.A N GLU 504.A OE1 no hydrogen 2.803 N/A GLN 505.A NE2 GLY 459.A O no hydrogen 2.715 N/A SER 506.A N SER 503.A O no hydrogen 3.380 N/A SER 506.A OG TYR 201.A OH no hydrogen 2.760 N/A SER 506.A OG THR 510.A OG1 no hydrogen 2.836 N/A ASP 507.A N THR 510.A OG1 no hydrogen 3.038 N/A THR 508.A OG1 TYR 200.A O no hydrogen 3.501 N/A SER 509.A N ASP 507.A OD1 no hydrogen 2.942 N/A THR 510.A N ASP 507.A O no hydrogen 3.116 N/A THR 510.A OG1 SER 506.A OG no hydrogen 2.836 N/A THR 510.A OG1 ASP 507.A O no hydrogen 3.286 N/A ARG 514.A N THR 510.A O no hydrogen 3.006 N/A LEU 515.A N LEU 511.A O no hydrogen 3.129 N/A TRP 516.A N ASP 512.A O no hydrogen 3.026 N/A ARG 518.A NH1 ILE 473.A O no hydrogen 2.972 N/A ARG 518.A NH2 PHE 454.A O no hydrogen 2.957 N/A ARG 518.A NH2 ARG 514.A O no hydrogen 2.737 N/A ALA 519.A N LEU 515.A O no hydrogen 2.713 N/A ALA 520.A N PRO 517.A O no hydrogen 2.917 N/A ALA 521.A N ARG 518.A O no hydrogen 2.904 N/A ALA 523.A N ALA 519.A O no hydrogen 2.885 N/A GLU 524.A N ALA 520.A O no hydrogen 3.048 N/A ARG 525.A N ALA 521.A O no hydrogen 3.061 N/A ARG 525.A NE TYR 479.A O no hydrogen 2.784 N/A ARG 525.A NH1 GLU 529.A OE2 no hydrogen 2.932 N/A ARG 525.A NH1 PRO 530.A O no hydrogen 2.815 N/A ARG 525.A NH2 TYR 479.A O no hydrogen 2.898 N/A LEU 526.A N LEU 522.A O no hydrogen 2.844 N/A TRP 527.A N ALA 523.A O no hydrogen 2.884 N/A TRP 527.A NE1 ASP 183.A OD1 no hydrogen 3.058 N/A TRP 527.A NE1 ASP 183.A OD2 no hydrogen 2.805 N/A ALA 528.A N GLU 524.A O no hydrogen 2.801 N/A GLU 529.A N ARG 525.A O no hydrogen 2.835 N/A TRP 534.A N ASP 480.A OD2 no hydrogen 3.034 N/A GLN 535.A N GLN 535.A OE1 no hydrogen 2.777 N/A ASP 536.A N SER 533.A O no hydrogen 3.114 N/A ALA 537.A N TRP 534.A O no hydrogen 2.845 N/A GLU 538.A N GLN 535.A O no hydrogen 3.404 N/A ARG 540.A NH1 LEU 43.A O no hydrogen 2.865 N/A ARG 540.A NH1 GLU 524.A OE1 no hydrogen 2.914 N/A ARG 540.A NH2 GLU 524.A OE1 no hydrogen 3.454 N/A ARG 540.A NH2 GLU 524.A OE2 no hydrogen 2.824 N/A MET 541.A N ALA 537.A O no hydrogen 2.946 N/A LEU 542.A N GLU 538.A O no hydrogen 3.034 N/A HIS 543.A N TYR 539.A O no hydrogen 3.205 N/A HIS 543.A ND1 TYR 564.A OH no hydrogen 3.114 N/A ILE 544.A N ARG 540.A O no hydrogen 2.939 N/A ARG 545.A N MET 541.A O no hydrogen 3.111 N/A ARG 545.A NE GLU 556.A O no hydrogen 2.764 N/A ARG 545.A NH1 GLU 546.A OE2 no hydrogen 3.096 N/A ARG 545.A NH2 ALA 555.A O no hydrogen 2.982 N/A GLU 546.A N LEU 542.A O no hydrogen 3.399 N/A ARG 547.A N HIS 543.A O no hydrogen 2.986 N/A ARG 547.A NH2 GLN 89.A O no hydrogen 3.335 N/A PHE 548.A N ILE 544.A O no hydrogen 2.956 N/A VAL 549.A N ARG 545.A O no hydrogen 3.100 N/A ARG 550.A N GLU 546.A O no hydrogen 2.946 N/A ARG 550.A NE ILE 94.A O no hydrogen 2.732 N/A ARG 550.A NH1 ARG 550.A O no hydrogen 2.837 N/A ARG 550.A NH2 SER 91.A O no hydrogen 3.205 N/A MET 551.A N ARG 547.A O no hydrogen 2.962 N/A GLY 552.A N VAL 549.A O no hydrogen 2.912 N/A ILE 553.A N PHE 548.A O no hydrogen 3.007 N/A GLN 554.A N ASP 512.A OD2 no hydrogen 3.169 N/A GLU 556.A N TRP 516.A O no hydrogen 2.727 N/A GLN 559.A NE2 GLU 538.A OE1 no hydrogen 2.770 N/A CYS 563.A N PRO 560.A O no hydrogen 2.916 N/A TYR 564.A OH GLU 31.A OE1 no hydrogen 3.247 N/A TYR 564.A OH HIS 543.A ND1 no hydrogen 3.114 N/A GLN 565.A N GLU 561.A O no hydrogen 3.027 N/A ASN 566.A N CYS 563.A O no hydrogen 3.107 N/A ASN 566.A ND2 TRP 562.A O no hydrogen 2.747 N/A TYR 569.A N ASN 566.A O no hydrogen 3.257 N/A