Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4c22_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 LEU 168.A O no hydrogen 3.451 N/A HIS 3.A ND1 GLU 51.A OE2 no hydrogen 2.944 N/A HIS 3.A NE2 ASP 46.A OD2 no hydrogen 2.983 N/A ARG 5.A N ASN 76.A O no hydrogen 2.968 N/A ARG 5.A NE GLU 51.A OE1 no hydrogen 3.007 N/A ARG 5.A NH1 SER 75.A O no hydrogen 2.801 N/A ARG 5.A NH2 GLU 51.A OE1 no hydrogen 2.995 N/A ILE 6.A N GLU 51.A O no hydrogen 3.149 N/A GLY 7.A N ALA 79.A O no hydrogen 2.952 N/A ILE 8.A N VAL 53.A O no hydrogen 2.696 N/A ARG 9.A N ILE 81.A O no hydrogen 2.586 N/A ARG 9.A NH1 THR 82.A OG1 no hydrogen 3.025 N/A ARG 9.A NH1 THR 93.A O no hydrogen 2.968 N/A ARG 9.A NH2 THR 93.A O no hydrogen 2.661 N/A THR 11.A N VAL 83.A O no hydrogen 3.091 N/A ILE 12.A N ILE 59.A O no hydrogen 2.796 N/A ARG 15.A N ASP 13.A OD1 no hydrogen 3.164 N/A ARG 15.A NE ASP 13.A OD1 no hydrogen 2.995 N/A ARG 15.A NH2 ASP 13.A OD1 no hydrogen 3.252 N/A ARG 15.A NH2 ASP 13.A OD2 no hydrogen 2.854 N/A GLY 18.A N GLU 21.A OE1 no hydrogen 2.940 N/A ARG 20.A N ARG 15.A O no hydrogen 2.751 N/A ARG 20.A NH1 GLU 64.A OE1 no hydrogen 3.193 N/A ARG 20.A NH2 THR 58.A O no hydrogen 3.107 N/A ARG 20.A NH2 THR 58.A OG1 no hydrogen 2.944 N/A ARG 20.A NH2 GLU 64.A OE1 no hydrogen 3.217 N/A GLU 21.A N GLU 21.A OE1 no hydrogen 2.807 N/A SER 22.A N GLY 18.A O no hydrogen 3.142 N/A SER 22.A OG GLY 18.A O no hydrogen 3.552 N/A SER 22.A OG VAL 19.A O no hydrogen 2.671 N/A LEU 23.A N ARG 20.A O no hydrogen 2.877 N/A GLU 24.A N ARG 20.A O no hydrogen 2.973 N/A THR 27.A N LEU 23.A O no hydrogen 2.984 N/A THR 27.A OG1 LEU 23.A O no hydrogen 2.888 N/A MET 28.A N GLU 24.A O no hydrogen 2.902 N/A ASN 29.A N VAL 25.A O no hydrogen 2.786 N/A MET 30.A N GLN 26.A O no hydrogen 3.194 N/A ALA 31.A N THR 27.A O no hydrogen 3.302 N/A LYS 32.A N MET 28.A O no hydrogen 3.118 N/A SER 33.A N ASN 29.A O no hydrogen 2.778 N/A SER 33.A OG ASN 29.A O no hydrogen 2.605 N/A VAL 34.A N MET 30.A O no hydrogen 3.102 N/A ALA 35.A N ALA 31.A O no hydrogen 2.834 N/A ASP 36.A N LYS 32.A O no hydrogen 2.829 N/A LEU 37.A N SER 33.A O no hydrogen 2.774 N/A ILE 38.A N VAL 34.A O no hydrogen 2.998 N/A SER 39.A N ALA 35.A O no hydrogen 2.956 N/A SER 39.A OG ALA 35.A O no hydrogen 3.026 N/A SER 39.A OG VAL 50.A O no hydrogen 2.920 N/A SER 40.A N ASP 36.A O no hydrogen 2.940 N/A SER 40.A OG ASP 36.A O no hydrogen 2.895 N/A THR 41.A N LEU 37.A O no hydrogen 3.147 N/A THR 41.A N ILE 38.A O no hydrogen 3.156 N/A THR 41.A OG1 LEU 37.A O no hydrogen 2.769 N/A LEU 42.A N ILE 38.A O no hydrogen 2.769 N/A TYR 44.A N GLU 48.A O no hydrogen 2.897 N/A TYR 44.A OH PRO 4.A O no hydrogen 2.604 N/A GLY 47.A N TYR 44.A O no hydrogen 2.595 N/A GLU 48.A N ASP 46.A OD1 no hydrogen 3.111 N/A VAL 50.A N LEU 42.A O no hydrogen 2.933 N/A GLU 51.A N TYR 44.A OH no hydrogen 2.877 N/A CYS 52.A SG ALA 35.A O no hydrogen 3.727 N/A CYS 52.A SG SER 39.A OG no hydrogen 3.758 N/A VAL 53.A N ILE 6.A O no hydrogen 2.983 N/A SER 55.A N ILE 8.A O no hydrogen 3.052 N/A SER 55.A OG ILE 8.A O no hydrogen 3.191 N/A SER 55.A OG SER 68.A OG no hydrogen 2.878 N/A SER 57.A OG THR 58.A O no hydrogen 2.588 N/A THR 58.A OG1 GLU 24.A OE1 no hydrogen 2.746 N/A ILE 59.A N PRO 10.A O no hydrogen 2.792 N/A GLY 60.A N GLU 64.A OE1 no hydrogen 2.745 N/A ARG 61.A N GLU 64.A OE1 no hydrogen 3.181 N/A ARG 61.A NH1 GLU 92.A OE1 no hydrogen 2.796 N/A GLU 64.A N ARG 61.A O no hydrogen 2.941 N/A ALA 65.A N ARG 61.A O no hydrogen 3.397 N/A ALA 66.A N VAL 62.A O no hydrogen 2.938 N/A ALA 67.A N PRO 63.A O no hydrogen 3.049 N/A SER 68.A N GLU 64.A O no hydrogen 2.878 N/A SER 68.A OG SER 55.A OG no hydrogen 2.878 N/A HIS 69.A N ALA 65.A O no hydrogen 2.995 N/A HIS 69.A NE2 SER 97.A OG no hydrogen 3.159 N/A GLU 70.A N ALA 66.A O no hydrogen 2.765 N/A LEU 71.A N ALA 67.A O no hydrogen 2.882 N/A PHE 72.A N SER 68.A O no hydrogen 2.976 N/A LYS 73.A N HIS 69.A O no hydrogen 3.078 N/A LYS 73.A NZ GLU 70.A OE1 no hydrogen 3.325 N/A LYS 73.A NZ GLU 70.A OE2 no hydrogen 2.658 N/A SER 75.A N PHE 72.A O no hydrogen 2.876 N/A SER 75.A OG LEU 71.A O no hydrogen 2.607 N/A CYS 78.A N ARG 5.A O no hydrogen 2.841 N/A CYS 78.A SG ARG 5.A O no hydrogen 3.535 N/A CYS 78.A SG ALA 163.A O no hydrogen 3.808 N/A THR 80.A N PRO 101.A O no hydrogen 3.045 N/A THR 80.A OG1 HIS 102.A ND1 no hydrogen 2.646 N/A ILE 81.A N GLY 7.A O no hydrogen 2.618 N/A THR 82.A N ALA 103.A O no hydrogen 2.682 N/A VAL 83.A N ARG 9.A O no hydrogen 3.014 N/A THR 84.A N TRP 105.A O no hydrogen 3.083 N/A THR 84.A OG1 THR 11.A O no hydrogen 2.762 N/A THR 84.A OG1 CYS 86.A O no hydrogen 3.039 N/A CYS 86.A N THR 84.A OG1 no hydrogen 3.229 N/A CYS 86.A SG THR 84.A OG1 no hydrogen 3.539 N/A CYS 86.A SG TRP 87.A O no hydrogen 3.437 N/A CYS 88.A SG THR 11.A OG1 no hydrogen 3.147 N/A CYS 88.A SG THR 84.A OG1 no hydrogen 3.073 N/A CYS 88.A SG CYS 86.A O no hydrogen 3.765 N/A THR 93.A N GLY 90.A O no hydrogen 2.772 N/A THR 93.A OG1 GLY 90.A O no hydrogen 3.264 N/A THR 93.A OG1 TYR 117.A OH no hydrogen 2.697 N/A MET 94.A N GLY 90.A O no hydrogen 2.704 N/A SER 97.A N ASP 95.A OD1 no hydrogen 2.823 N/A SER 97.A OG HIS 69.A NE2 no hydrogen 3.159 N/A SER 97.A OG ASP 95.A OD1 no hydrogen 2.602 N/A ASP 99.A N ASP 99.A OD1 no hydrogen 2.657 N/A HIS 102.A ND1 THR 80.A OG1 no hydrogen 2.646 N/A HIS 102.A NE2 SER 97.A O no hydrogen 2.683 N/A ALA 103.A N THR 80.A O no hydrogen 2.901 N/A ILE 104.A N PHE 133.A O no hydrogen 2.691 N/A TRP 105.A N THR 82.A O no hydrogen 2.692 N/A GLY 106.A N ILE 135.A O no hydrogen 3.318 N/A PHE 107.A N THR 84.A O no hydrogen 2.921 N/A ASN 108.A ND2 GLY 137.A O no hydrogen 2.813 N/A THR 110.A N GLU 111.A OE2 no hydrogen 3.209 N/A THR 110.A OG1 GLU 111.A OE1 no hydrogen 3.202 N/A THR 110.A OG1 GLU 111.A OE2 no hydrogen 3.139 N/A GLY 114.A N ARG 112.A O no hydrogen 2.862 N/A VAL 116.A N PRO 113.A O no hydrogen 3.080 N/A TYR 117.A N PRO 113.A O no hydrogen 3.192 N/A TYR 117.A OH THR 93.A OG1 no hydrogen 2.697 N/A LEU 118.A N GLY 114.A O no hydrogen 3.139 N/A ALA 119.A N ALA 115.A O no hydrogen 3.085 N/A ALA 120.A N VAL 116.A O no hydrogen 3.129 N/A VAL 121.A N TYR 117.A O no hydrogen 2.670 N/A LEU 122.A N LEU 118.A O no hydrogen 3.139 N/A ALA 123.A N ALA 119.A O no hydrogen 2.993 N/A SER 124.A N ALA 120.A O no hydrogen 3.149 N/A HIS 125.A N VAL 121.A O no hydrogen 3.026 N/A HIS 125.A ND1 ILE 130.A O no hydrogen 2.807 N/A ALA 126.A N LEU 122.A O no hydrogen 2.929 N/A GLN 127.A N ALA 123.A O no hydrogen 2.778 N/A LYS 128.A N SER 124.A O no hydrogen 2.727 N/A GLY 129.A N ALA 126.A O no hydrogen 3.191 N/A ILE 130.A N HIS 125.A O no hydrogen 2.843 N/A PHE 133.A N HIS 102.A O no hydrogen 2.635 N/A ILE 135.A N ILE 104.A O no hydrogen 2.738 N/A ARG 138.A N ASP 151.A OD2 no hydrogen 2.572 N/A GLN 141.A N ASN 108.A O no hydrogen 2.957 N/A GLN 141.A NE2 ASP 147.A O no hydrogen 2.885 N/A ASP 145.A N GLU 142.A O no hydrogen 2.843 N/A ASP 147.A N ASP 145.A OD1 no hydrogen 3.440 N/A LYS 153.A N PRO 149.A O no hydrogen 2.955 N/A LYS 153.A NZ GLU 150.A OE2 no hydrogen 2.862 N/A GLU 154.A N GLU 150.A O no hydrogen 3.009 N/A LYS 155.A N ASP 151.A O no hydrogen 3.175 N/A LEU 156.A N VAL 152.A O no hydrogen 2.772 N/A LEU 157.A N LYS 153.A O no hydrogen 2.833 N/A ARG 158.A N GLU 154.A O no hydrogen 2.841 N/A ARG 158.A NE ASP 535.A OD1 no hydrogen 2.601 N/A ARG 158.A NH1 GLU 154.A OE2 no hydrogen 3.355 N/A ARG 158.A NH2 ASP 535.A OD1 no hydrogen 3.356 N/A TYR 159.A N LYS 155.A O no hydrogen 2.954 N/A TYR 159.A OH THR 80.A O no hydrogen 2.543 N/A ALA 160.A N LEU 156.A O no hydrogen 2.887 N/A ARG 161.A N LEU 157.A O no hydrogen 2.853 N/A ARG 161.A NE ASP 535.A OD2 no hydrogen 2.805 N/A ARG 161.A NH2 ASP 535.A OD1 no hydrogen 2.834 N/A ARG 161.A NH2 ASP 535.A OD2 no hydrogen 3.171 N/A ALA 162.A N ARG 158.A O no hydrogen 2.901 N/A ALA 163.A N TYR 159.A O no hydrogen 2.667 N/A LEU 164.A N ALA 160.A O no hydrogen 2.773 N/A ALA 165.A N ARG 161.A O no hydrogen 3.037 N/A ALA 165.A N ALA 162.A O no hydrogen 2.984 N/A THR 166.A N ALA 162.A O no hydrogen 3.215 N/A THR 166.A OG1 ALA 163.A O no hydrogen 2.827 N/A GLY 167.A N ALA 163.A O no hydrogen 2.812 N/A LEU 168.A N LEU 164.A O no hydrogen 2.862 N/A MET 169.A N ALA 165.A O no hydrogen 3.145 N/A ARG 170.A N THR 166.A O no hydrogen 3.308 N/A ARG 170.A NH1 ASP 99.A OD2 no hydrogen 2.846 N/A ARG 170.A NH2 ASP 99.A OD2 no hydrogen 2.828 N/A ASP 171.A N GLY 199.A O no hydrogen 2.639 N/A THR 172.A N MET 169.A O no hydrogen 2.926 N/A THR 172.A OG1 MET 169.A O no hydrogen 2.724 N/A ALA 173.A N HIS 290.A O no hydrogen 3.050 N/A TYR 174.A N ARG 201.A O no hydrogen 2.937 N/A TYR 174.A OH ASN 335.A OD1 no hydrogen 2.699 N/A LEU 175.A N VAL 293.A O no hydrogen 3.034 N/A SER 176.A N GLU 203.A O no hydrogen 2.897 N/A MET 177.A N GLY 295.A O no hydrogen 2.990 N/A GLY 178.A N VAL 205.A O no hydrogen 2.699 N/A VAL 180.A N SER 179.A OG no hydrogen 2.763 N/A SER 181.A N SER 187.A OG no hydrogen 2.944 N/A SER 181.A OG GLN 297.A O no hydrogen 3.200 N/A SER 181.A OG GLN 299.A O no hydrogen 2.966 N/A ILE 184.A N SER 181.A O no hydrogen 2.923 N/A SER 187.A N ILE 184.A O no hydrogen 2.916 N/A SER 187.A OG SER 181.A O no hydrogen 3.470 N/A SER 187.A OG ILE 184.A O no hydrogen 2.676 N/A ILE 188.A N GLY 185.A O no hydrogen 2.884 N/A ASP 192.A N ASN 190.A OD1 no hydrogen 2.815 N/A PHE 193.A N ASN 190.A O no hydrogen 3.165 N/A PHE 193.A N ASN 190.A OD1 no hydrogen 3.393 N/A GLN 195.A N PRO 191.A O no hydrogen 2.867 N/A GLU 196.A N ASP 192.A O no hydrogen 2.701 N/A TYR 197.A N PHE 193.A O no hydrogen 2.850 N/A LEU 198.A N PHE 194.A O no hydrogen 3.042 N/A MET 200.A N PHE 194.A O no hydrogen 2.810 N/A ARG 201.A N THR 172.A O no hydrogen 2.860 N/A GLU 203.A N TYR 174.A O no hydrogen 2.856 N/A VAL 205.A N SER 176.A O no hydrogen 2.698 N/A THR 208.A N ASP 206.A OD1 no hydrogen 2.886 N/A THR 208.A OG1 ASP 206.A OD1 no hydrogen 2.547 N/A GLU 209.A N ASP 206.A O no hydrogen 2.949 N/A PHE 210.A N MET 207.A O no hydrogen 2.790 N/A ARG 212.A N THR 208.A O no hydrogen 2.872 N/A ARG 212.A NH1 GLU 209.A OE1 no hydrogen 2.767 N/A ARG 212.A NH2 GLU 285.A OE2 no hydrogen 2.378 N/A ARG 213.A N GLU 209.A O no hydrogen 2.927 N/A ARG 213.A NE GLU 209.A OE2 no hydrogen 2.722 N/A ARG 213.A NH2 GLU 285.A O no hydrogen 3.548 N/A MET 214.A N PHE 210.A O no hydrogen 3.040 N/A ASP 215.A N THR 211.A O no hydrogen 2.696 N/A ARG 216.A N ARG 212.A O no hydrogen 2.862 N/A GLY 217.A N MET 214.A O no hydrogen 3.309 N/A ILE 218.A N ARG 213.A O no hydrogen 2.703 N/A TYR 219.A N GLY 217.A O no hydrogen 2.912 N/A PHE 224.A N ASP 220.A O no hydrogen 2.795 N/A GLU 225.A N PRO 221.A O no hydrogen 3.005 N/A ARG 226.A N GLU 222.A O no hydrogen 3.172 N/A ARG 226.A NH1 ASN 323.A OD1 no hydrogen 3.295 N/A ARG 226.A NH2 ASN 323.A OD1 no hydrogen 2.933 N/A ALA 227.A N GLU 223.A O no hydrogen 2.958 N/A LEU 228.A N PHE 224.A O no hydrogen 2.834 N/A LYS 229.A N GLU 225.A O no hydrogen 3.246 N/A TRP 230.A N ARG 226.A O no hydrogen 3.062 N/A VAL 231.A N ALA 227.A O no hydrogen 2.838 N/A LYS 232.A N LEU 228.A O no hydrogen 2.938 N/A GLU 233.A N LYS 229.A O no hydrogen 3.115 N/A ASN 234.A N VAL 231.A O no hydrogen 3.284 N/A ASN 234.A ND2 TRP 230.A O no hydrogen 2.841 N/A VAL 235.A N VAL 231.A O no hydrogen 2.781 N/A GLY 238.A N PHE 429.A O no hydrogen 2.840 N/A ASN 242.A N ASP 240.A OD1 no hydrogen 2.761 N/A ASN 242.A ND2 ASP 240.A OD1 no hydrogen 3.044 N/A ASN 242.A ND2 ALA 432.A O no hydrogen 2.842 N/A ARG 243.A NE GLU 435.A OE2 no hydrogen 2.794 N/A ARG 243.A NH1 ASP 245.A OD1 no hydrogen 3.315 N/A LEU 246.A N ARG 243.A O no hydrogen 2.867 N/A VAL 247.A N ARG 243.A O no hydrogen 3.213 N/A VAL 247.A N GLU 244.A O no hydrogen 3.179 N/A ARG 250.A NH1 GLU 237.A OE1 no hydrogen 3.276 N/A ARG 250.A NH1 ASP 254.A OD1 no hydrogen 2.429 N/A ARG 250.A NH2 GLU 237.A OE1 no hydrogen 3.152 N/A ARG 250.A NH2 GLU 237.A OE2 no hydrogen 2.620 N/A GLU 252.A N SER 249.A OG no hydrogen 3.230 N/A LYS 253.A N SER 249.A O no hydrogen 2.996 N/A LYS 253.A NZ ASP 240.A OD2 no hydrogen 2.730 N/A ASP 254.A N ARG 250.A O no hydrogen 2.990 N/A ARG 255.A N GLU 251.A O no hydrogen 2.978 N/A ARG 255.A NE GLU 252.A OE1 no hydrogen 3.389 N/A ARG 255.A NH2 GLU 252.A OE1 no hydrogen 2.980 N/A GLN 256.A N GLU 252.A O no hydrogen 3.085 N/A GLN 256.A NE2 GLU 252.A OE2 no hydrogen 2.994 N/A TRP 257.A N LYS 253.A O no hydrogen 2.925 N/A TRP 257.A N ASP 254.A O no hydrogen 3.084 N/A TRP 257.A NE1 GLU 237.A OE1 no hydrogen 2.836 N/A GLU 258.A N ASP 254.A O no hydrogen 3.275 N/A PHE 259.A N ARG 255.A O no hydrogen 3.031 N/A VAL 260.A N GLN 256.A O no hydrogen 2.951 N/A ILE 261.A N TRP 257.A O no hydrogen 3.180 N/A LYS 262.A N GLU 258.A O no hydrogen 3.069 N/A LYS 262.A NZ TYR 219.A OH no hydrogen 3.242 N/A MET 263.A N PHE 259.A O no hydrogen 2.782 N/A PHE 264.A N VAL 260.A O no hydrogen 3.029 N/A MET 265.A N ILE 261.A O no hydrogen 2.961 N/A ILE 266.A N LYS 262.A O no hydrogen 2.889 N/A GLY 267.A N MET 263.A O no hydrogen 2.985 N/A ARG 268.A N PHE 264.A O no hydrogen 3.113 N/A ARG 268.A NH2 GLU 223.A OE1 no hydrogen 2.778 N/A ASP 269.A N MET 265.A O no hydrogen 2.951 N/A LEU 270.A N ILE 266.A O no hydrogen 2.861 N/A MET 271.A N GLY 267.A O no hydrogen 2.944 N/A VAL 272.A N ARG 268.A O no hydrogen 2.938 N/A GLY 273.A N ASP 269.A O no hydrogen 2.829 N/A ASN 274.A N ALA 286.A O no hydrogen 2.896 N/A ASN 274.A ND2 ASP 269.A OD1 no hydrogen 2.705 N/A ARG 276.A N ASN 274.A OD1 no hydrogen 3.153 N/A LEU 277.A N ASN 274.A O no hydrogen 3.024 N/A ALA 278.A N PRO 275.A O no hydrogen 2.859 N/A GLU 279.A N PRO 275.A O no hydrogen 3.174 N/A LEU 280.A N ARG 276.A O no hydrogen 3.081 N/A GLY 281.A N ALA 278.A O no hydrogen 2.763 N/A PHE 282.A N LEU 277.A O no hydrogen 2.712 N/A GLU 285.A N GLU 285.A OE1 no hydrogen 2.775 N/A ALA 286.A N PHE 282.A O no hydrogen 3.162 N/A VAL 287.A N GLU 284.A O no hydrogen 3.343 N/A HIS 290.A NE2 ASP 171.A O no hydrogen 3.081 N/A ALA 291.A N MET 271.A O no hydrogen 2.956 N/A LEU 292.A N ALA 173.A O no hydrogen 3.150 N/A ALA 294.A N VAL 330.A O no hydrogen 3.210 N/A GLY 295.A N LEU 175.A O no hydrogen 2.975 N/A PHE 296.A N ALA 332.A O no hydrogen 3.027 N/A GLN 297.A N MET 177.A O no hydrogen 2.689 N/A ARG 300.A NE ASP 304.A OD1 no hydrogen 3.092 N/A ARG 300.A NE ASP 304.A OD2 no hydrogen 2.992 N/A ARG 300.A NH2 ASP 304.A OD2 no hydrogen 2.946 N/A TRP 302.A N GLY 298.A O no hydrogen 3.145 N/A TRP 302.A NE1 PRO 307.A O no hydrogen 2.962 N/A THR 303.A N GLY 298.A O no hydrogen 3.466 N/A ASP 304.A N ARG 300.A O no hydrogen 2.934 N/A HIS 305.A N TRP 302.A O no hydrogen 2.857 N/A PHE 306.A N TRP 302.A O no hydrogen 2.849 N/A ASN 308.A N GLY 440.A O no hydrogen 2.897 N/A ASN 308.A ND2 ASP 310.A OD2 no hydrogen 2.767 N/A ASP 310.A N ASN 308.A OD1 no hydrogen 2.813 N/A GLU 313.A N GLY 309.A O no hydrogen 2.695 N/A THR 314.A N ASP 310.A O no hydrogen 2.744 N/A THR 314.A OG1 ASP 310.A O no hydrogen 2.818 N/A THR 314.A OG1 THR 444.A OG1 no hydrogen 2.631 N/A PHE 315.A N PHE 311.A O no hydrogen 2.860 N/A LEU 316.A N MET 312.A O no hydrogen 2.818 N/A ASN 317.A N GLU 313.A O no hydrogen 3.205 N/A ASN 317.A ND2 GLU 313.A O no hydrogen 2.996 N/A ASN 317.A ND2 PHE 331.A O no hydrogen 2.847 N/A THR 318.A N PHE 315.A O no hydrogen 2.949 N/A THR 318.A OG1 THR 314.A O no hydrogen 2.629 N/A GLN 319.A N ASP 396.A OD1 no hydrogen 3.034 N/A ASP 321.A N GLY 324.A O no hydrogen 3.369 N/A TRP 322.A NE1 GLU 223.A OE2 no hydrogen 2.814 N/A ASN 323.A N ASP 321.A OD1 no hydrogen 2.830 N/A ASN 323.A ND2 GLU 223.A OE2 no hydrogen 2.786 N/A GLY 324.A N ASP 321.A O no hydrogen 2.793 N/A ARG 326.A N GLN 319.A O no hydrogen 2.907 N/A ARG 326.A NE ASP 321.A OD2 no hydrogen 2.840 N/A ARG 326.A NH1 LYS 327.A O no hydrogen 2.786 N/A ARG 326.A NH2 PHE 315.A O no hydrogen 2.844 N/A ARG 326.A NH2 ASP 321.A OD2 no hydrogen 2.845 N/A PHE 329.A N LEU 316.A O no hydrogen 2.666 N/A PHE 331.A N ASN 317.A OD1 no hydrogen 3.140 N/A ALA 332.A N ALA 294.A O no hydrogen 2.832 N/A THR 333.A OG1 GLU 313.A OE1 no hydrogen 2.730 N/A THR 333.A OG1 SER 392.A OG no hydrogen 3.227 N/A ASN 335.A ND2 SER 176.A OG no hydrogen 3.393 N/A ASN 335.A ND2 SER 179.A O no hydrogen 2.818 N/A ASP 336.A N THR 333.A O no hydrogen 2.994 N/A SER 337.A N GLY 186.A O no hydrogen 2.884 N/A SER 337.A OG GLY 186.A O no hydrogen 2.702 N/A ASN 339.A N ASP 336.A OD1 no hydrogen 3.007 N/A ASN 339.A ND2 GLY 525.A O no hydrogen 3.021 N/A GLY 340.A N ASP 336.A O no hydrogen 2.770 N/A VAL 341.A N SER 337.A O no hydrogen 2.840 N/A SER 342.A N LEU 338.A O no hydrogen 2.903 N/A SER 342.A OG LEU 338.A O no hydrogen 2.618 N/A MET 343.A N ASN 339.A O no hydrogen 2.754 N/A LEU 344.A N GLY 340.A O no hydrogen 2.783 N/A PHE 345.A N VAL 341.A O no hydrogen 2.715 N/A ASN 346.A N SER 342.A O no hydrogen 3.223 N/A ASN 346.A ND2 GLN 354.A OE1 no hydrogen 3.108 N/A ASN 346.A ND2 ALA 526.A O no hydrogen 3.626 N/A TYR 347.A N MET 343.A O no hydrogen 2.804 N/A LEU 348.A N LEU 344.A O no hydrogen 2.908 N/A LEU 349.A N PHE 345.A O no hydrogen 2.993 N/A THR 350.A N TYR 347.A O no hydrogen 3.226 N/A THR 350.A OG1 ASN 346.A O no hydrogen 2.768 N/A THR 350.A OG1 TYR 347.A O no hydrogen 3.539 N/A THR 350.A OG1 THR 352.A OG1 no hydrogen 2.790 N/A ASN 351.A N TYR 347.A O no hydrogen 2.621 N/A THR 352.A N THR 350.A OG1 no hydrogen 2.921 N/A THR 352.A OG1 THR 350.A OG1 no hydrogen 2.790 N/A THR 352.A OG1 PRO 353.A O no hydrogen 3.453 N/A GLN 354.A NE2 THR 352.A O no hydrogen 2.879 N/A GLN 354.A NE2 THR 528.A OG1 no hydrogen 2.905 N/A ILE 355.A N ILE 527.A O no hydrogen 2.803 N/A ALA 357.A N GLY 525.A O no hydrogen 3.294 N/A VAL 359.A N ASN 523.A O no hydrogen 2.786 N/A ARG 360.A N HIS 386.A O no hydrogen 2.857 N/A ARG 360.A NH1 ASP 492.A OD2 no hydrogen 2.740 N/A ARG 360.A NH2 ASP 492.A OD2 no hydrogen 2.654 N/A TRP 363.A N PHE 384.A O no hydrogen 2.865 N/A GLU 366.A N GLU 366.A OE1 no hydrogen 2.535 N/A ALA 367.A N SER 364.A O no hydrogen 3.156 N/A ALA 367.A N SER 364.A OG no hydrogen 3.083 N/A VAL 368.A N SER 364.A O no hydrogen 3.088 N/A LYS 369.A N PRO 365.A O no hydrogen 3.008 N/A LYS 369.A NZ GLY 373.A O no hydrogen 2.635 N/A LYS 369.A NZ THR 375.A OG1 no hydrogen 3.124 N/A ARG 370.A N GLU 366.A O no hydrogen 3.058 N/A VAL 371.A N ALA 367.A O no hydrogen 2.903 N/A THR 372.A N VAL 368.A O no hydrogen 2.657 N/A THR 372.A OG1 VAL 368.A O no hydrogen 2.609 N/A GLY 373.A N LYS 369.A O no hydrogen 2.786 N/A HIS 374.A N THR 372.A OG1 no hydrogen 3.198 N/A ARG 379.A NE ASP 451.A OD1 no hydrogen 3.326 N/A ARG 379.A NH2 ASP 451.A OD1 no hydrogen 3.415 N/A ALA 381.A N GLY 378.A O no hydrogen 2.817 N/A GLY 383.A N ALA 380.A O no hydrogen 3.058 N/A PHE 384.A N TRP 363.A O no hydrogen 2.977 N/A LEU 385.A N PHE 500.A O no hydrogen 2.623 N/A HIS 386.A N THR 361.A O no hydrogen 2.869 N/A HIS 386.A NE2 THR 497.A OG1 no hydrogen 2.695 N/A LEU 387.A N THR 498.A O no hydrogen 2.991 N/A ILE 388.A N ASP 358.A O no hydrogen 2.983 N/A ASN 389.A ND2 THR 333.A OG1 no hydrogen 2.939 N/A ASN 389.A ND2 SER 392.A O no hydrogen 2.768 N/A SER 390.A N ASN 389.A OD1 no hydrogen 2.742 N/A SER 390.A OG GLU 334.A OE2 no hydrogen 3.217 N/A GLY 391.A N ASN 389.A O no hydrogen 2.668 N/A SER 392.A OG GLU 313.A OE1 no hydrogen 2.892 N/A CYS 393.A N THR 314.A OG1 no hydrogen 3.096 N/A CYS 393.A SG THR 394.A O no hydrogen 3.782 N/A THR 394.A OG1 ASN 317.A O no hydrogen 2.965 N/A LEU 395.A N THR 318.A OG1 no hydrogen 2.798 N/A ASP 396.A N THR 394.A OG1 no hydrogen 3.225 N/A GLY 397.A N THR 394.A O no hydrogen 2.884 N/A THR 398.A N LEU 395.A O no hydrogen 3.084 N/A THR 398.A OG1 LEU 395.A O no hydrogen 2.924 N/A GLY 399.A N ASP 396.A O no hydrogen 3.134 N/A GLN 400.A N THR 398.A OG1 no hydrogen 3.089 N/A THR 402.A N GLU 419.A OE2 no hydrogen 2.811 N/A THR 402.A OG1 GLN 400.A O no hydrogen 3.159 N/A ARG 403.A N LYS 406.A O no hydrogen 2.798 N/A LYS 406.A N ARG 403.A O no hydrogen 2.890 N/A ILE 408.A N ALA 401.A O no hydrogen 2.853 N/A LYS 410.A NZ THR 402.A O no hydrogen 3.094 N/A LYS 410.A NZ GLU 419.A OE1 no hydrogen 3.042 N/A LYS 410.A NZ GLU 419.A OE2 no hydrogen 2.497 N/A GLU 414.A N PRO 411.A O no hydrogen 2.853 N/A LEU 415.A N PHE 412.A O no hydrogen 2.991 N/A GLU 416.A N GLU 419.A OE1 no hydrogen 2.743 N/A GLU 419.A N GLU 416.A O no hydrogen 2.774 N/A VAL 420.A N GLU 416.A O no hydrogen 2.994 N/A GLN 421.A N GLU 417.A O no hydrogen 2.934 N/A ALA 422.A N SER 418.A O no hydrogen 2.849 N/A MET 423.A N GLU 419.A O no hydrogen 3.063 N/A MET 423.A N VAL 420.A O no hydrogen 3.055 N/A LEU 424.A N VAL 420.A O no hydrogen 3.100 N/A GLU 425.A N GLN 421.A O no hydrogen 2.807 N/A ASN 426.A N ALA 422.A O no hydrogen 3.024 N/A ASN 426.A ND2 ALA 422.A O no hydrogen 2.725 N/A THR 427.A N LEU 424.A O no hydrogen 3.184 N/A THR 427.A OG1 MET 423.A O no hydrogen 2.786 N/A ASP 428.A N ARG 445.A O no hydrogen 3.176 N/A PHE 429.A N LYS 236.A O no hydrogen 2.655 N/A ALA 432.A N GLY 441.A O no hydrogen 2.955 N/A ARG 434.A N ASN 242.A OD1 no hydrogen 2.832 N/A ARG 434.A NE LEU 246.A O no hydrogen 2.908 N/A ARG 434.A NH1 ARG 438.A O no hydrogen 2.872 N/A ARG 434.A NH2 LEU 246.A O no hydrogen 3.179 N/A GLU 435.A N ASN 433.A OD1 no hydrogen 3.090 N/A TYR 436.A N ASN 433.A O no hydrogen 3.032 N/A PHE 437.A N ASN 433.A O no hydrogen 3.057 N/A GLY 439.A N THR 303.A O no hydrogen 2.989 N/A GLY 440.A N PHE 437.A O no hydrogen 2.868 N/A GLY 441.A N GLN 256.A OE1 no hydrogen 2.986 N/A SER 443.A N PRO 430.A O no hydrogen 2.801 N/A SER 443.A OG PRO 430.A O no hydrogen 3.193 N/A SER 443.A OG GLY 494.A O no hydrogen 2.643 N/A THR 444.A N GLY 391.A O no hydrogen 2.767 N/A THR 444.A OG1 THR 314.A OG1 no hydrogen 2.631 N/A ARG 445.A N ASP 428.A O no hydrogen 2.884 N/A THR 448.A N THR 497.A O no hydrogen 2.889 N/A THR 448.A OG1 GLY 397.A O no hydrogen 2.840 N/A THR 448.A OG1 THR 497.A O no hydrogen 3.157 N/A THR 448.A OG1 THR 498.A OG1 no hydrogen 2.744 N/A LYS 449.A N THR 398.A O no hydrogen 2.801 N/A ASP 451.A N THR 476.A O no hydrogen 2.833 N/A MET 452.A N THR 476.A OG1 no hydrogen 2.981 N/A VAL 454.A N GLY 474.A O no hydrogen 2.947 N/A THR 455.A N THR 528.A O no hydrogen 3.001 N/A THR 455.A OG1 GLY 530.A O no hydrogen 2.750 N/A MET 456.A N ALA 472.A O no hydrogen 2.736 N/A VAL 457.A N ALA 526.A O no hydrogen 2.687 N/A ARG 458.A N GLN 470.A O no hydrogen 3.108 N/A ARG 458.A NE LEU 459.A O no hydrogen 2.923 N/A ARG 458.A NE ASN 460.A OD1 no hydrogen 3.405 N/A ARG 458.A NH1 ASP 336.A OD1 no hydrogen 3.241 N/A ARG 458.A NH1 ASP 336.A OD2 no hydrogen 2.894 N/A ARG 458.A NH1 ASN 339.A OD1 no hydrogen 2.963 N/A ARG 458.A NH2 ASP 336.A OD1 no hydrogen 3.148 N/A ARG 458.A NH2 ASP 336.A OD2 no hydrogen 3.440 N/A LEU 459.A N SER 342.A OG no hydrogen 2.856 N/A ASN 460.A N VAL 468.A O no hydrogen 2.871 N/A LEU 462.A N GLY 466.A O no hydrogen 2.771 N/A VAL 465.A N LEU 462.A O no hydrogen 2.949 N/A GLY 466.A N LEU 462.A O no hydrogen 2.796 N/A VAL 468.A N ASN 460.A O no hydrogen 2.734 N/A LEU 469.A N PRO 546.A O no hydrogen 2.811 N/A GLN 470.A N ARG 458.A O no hydrogen 2.861 N/A ILE 471.A N MET 549.A O no hydrogen 2.717 N/A ALA 472.A N MET 456.A O no hydrogen 2.822 N/A GLU 473.A N ASN 551.A OD1 no hydrogen 2.905 N/A GLY 474.A N VAL 454.A O no hydrogen 2.773 N/A TYR 475.A N ALA 501.A O no hydrogen 3.020 N/A THR 476.A N MET 452.A O no hydrogen 2.842 N/A THR 476.A OG1 LYS 449.A O no hydrogen 2.820 N/A LEU 477.A N TRP 499.A O no hydrogen 2.758 N/A HIS 484.A N PRO 480.A O no hydrogen 2.935 N/A HIS 485.A N GLU 481.A O no hydrogen 3.255 N/A THR 486.A N ASP 482.A O no hydrogen 3.192 N/A THR 486.A N VAL 483.A O no hydrogen 3.104 N/A THR 486.A OG1 ASP 482.A O no hydrogen 3.138 N/A LEU 487.A N VAL 483.A O no hydrogen 3.071 N/A ASP 488.A N HIS 484.A O no hydrogen 2.763 N/A ASN 489.A N HIS 485.A O no hydrogen 3.179 N/A ARG 490.A N THR 486.A O no hydrogen 3.347 N/A THR 491.A N ASP 488.A O no hydrogen 2.749 N/A THR 491.A OG1 LEU 487.A O no hydrogen 2.685 N/A TRP 495.A N ASP 492.A O no hydrogen 3.118 N/A THR 497.A N PHE 446.A O no hydrogen 2.910 N/A THR 497.A OG1 HIS 386.A NE2 no hydrogen 2.695 N/A THR 498.A N LEU 387.A O no hydrogen 2.904 N/A THR 498.A OG1 THR 448.A OG1 no hydrogen 2.744 N/A TRP 499.A NE1 HIS 484.A ND1 no hydrogen 2.974 N/A PHE 500.A N LEU 385.A O no hydrogen 2.972 N/A ALA 501.A N TYR 475.A O no hydrogen 3.046 N/A ARG 503.A N GLU 473.A O no hydrogen 2.734 N/A ARG 503.A NH1 GLU 473.A OE1 no hydrogen 2.992 N/A ARG 503.A NH1 ASN 551.A O no hydrogen 2.774 N/A ARG 503.A NH2 GLU 473.A OE1 no hydrogen 2.657 N/A THR 505.A N PHE 510.A O no hydrogen 2.755 N/A GLY 506.A N PHE 510.A O no hydrogen 3.070 N/A LYS 507.A N THR 505.A OG1 no hydrogen 3.119 N/A PHE 510.A N LYS 507.A O no hydrogen 3.020 N/A ASP 515.A N SER 512.A OG no hydrogen 3.043 N/A VAL 516.A N SER 512.A O no hydrogen 3.204 N/A MET 517.A N VAL 513.A O no hydrogen 3.310 N/A ASN 518.A N TYR 514.A O no hydrogen 2.730 N/A ASN 519.A N ASP 515.A O no hydrogen 2.881 N/A ASN 519.A N VAL 516.A O no hydrogen 2.984 N/A ASN 519.A ND2 ASP 515.A O no hydrogen 2.757 N/A TRP 520.A N MET 517.A O no hydrogen 3.063 N/A TRP 520.A NE1 HIS 524.A O no hydrogen 3.011 N/A HIS 524.A ND1 ASP 336.A OD2 no hydrogen 2.735 N/A GLY 525.A N ALA 357.A O no hydrogen 3.002 N/A ALA 526.A N VAL 457.A O no hydrogen 2.744 N/A ILE 527.A N ILE 355.A O no hydrogen 2.751 N/A THR 528.A N THR 455.A O no hydrogen 2.967 N/A THR 528.A OG1 THR 352.A OG1 no hydrogen 3.399 N/A THR 528.A OG1 TYR 529.A O no hydrogen 2.930 N/A GLY 530.A N PRO 453.A O no hydrogen 2.846 N/A HIS 531.A NE2 GLY 474.A O no hydrogen 2.779 N/A ILE 532.A N THR 455.A OG1 no hydrogen 2.973 N/A GLY 533.A N GLU 473.A OE2 no hydrogen 2.766 N/A LEU 536.A N ILE 532.A O no hydrogen 3.074 N/A ILE 537.A N GLY 533.A O no hydrogen 2.926 N/A THR 538.A N ALA 534.A O no hydrogen 3.119 N/A THR 538.A OG1 ALA 534.A O no hydrogen 3.218 N/A THR 538.A OG1 PHE 558.A O no hydrogen 2.641 N/A LEU 539.A N ASP 535.A O no hydrogen 3.004 N/A ALA 540.A N LEU 536.A O no hydrogen 2.742 N/A SER 541.A N ILE 537.A O no hydrogen 2.897 N/A SER 541.A OG THR 538.A O no hydrogen 2.644 N/A MET 542.A N THR 538.A O no hydrogen 2.946 N/A LEU 543.A N LEU 539.A O no hydrogen 3.084 N/A LEU 543.A N ALA 540.A O no hydrogen 3.094 N/A ARG 544.A N SER 541.A O no hydrogen 3.111 N/A ARG 544.A NH1 GLY 583.A O no hydrogen 2.994 N/A ILE 545.A N ALA 540.A O no hydrogen 2.928 N/A VAL 547.A N ASP 575.A OD2 no hydrogen 2.931 N/A ASN 548.A N LEU 469.A O no hydrogen 2.885 N/A ASN 551.A ND2 GLU 473.A O no hydrogen 2.913 N/A ASN 551.A ND2 ARG 503.A O no hydrogen 3.150 N/A VAL 552.A N HIS 550.A ND1 no hydrogen 2.984 N/A GLU 555.A N GLU 555.A OE1 no hydrogen 2.765 N/A ASP 556.A N PRO 553.A O no hydrogen 2.998 N/A ILE 557.A N GLU 554.A O no hydrogen 3.183 N/A LYS 561.A N ALA 132.A O no hydrogen 2.695 N/A TRP 563.A N PRO 560.A O no hydrogen 2.992 N/A TRP 563.A NE1 ASP 575.A OD1 no hydrogen 2.674 N/A SER 564.A N LYS 561.A O no hydrogen 3.006 N/A SER 564.A OG LYS 561.A O no hydrogen 2.870 N/A LEU 565.A N ASN 562.A O no hydrogen 2.978 N/A PHE 566.A N TRP 563.A O no hydrogen 3.027 N/A GLY 567.A N SER 564.A O no hydrogen 2.798 N/A ALA 574.A N ASP 570.A O no hydrogen 2.906 N/A ASP 575.A N LEU 571.A O no hydrogen 2.765 N/A TYR 576.A N GLU 572.A O no hydrogen 3.016 N/A ARG 577.A N SER 573.A O no hydrogen 2.879 N/A ARG 577.A NE PHE 566.A O no hydrogen 3.243 N/A ARG 577.A NH2 PHE 566.A O no hydrogen 2.634 N/A ALA 578.A N ALA 574.A O no hydrogen 2.950 N/A CYS 579.A N ASP 575.A O no hydrogen 3.022 N/A CYS 579.A SG ASP 575.A O no hydrogen 3.499 N/A CYS 579.A SG ASP 575.A OD1 no hydrogen 3.593 N/A GLN 580.A N TYR 576.A O no hydrogen 2.776 N/A LEU 581.A N ARG 577.A O no hydrogen 2.964 N/A LEU 582.A N ALA 578.A O no hydrogen 2.893 N/A GLY 583.A N CYS 579.A O no hydrogen 2.880 N/A HIS 586.A N GLU 196.A O no hydrogen 2.939 N/A