Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wpu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 GLU 30.A O no hydrogen 3.211 N/A MET 3.A N GLN 33.A OE1 no hydrogen 2.631 N/A THR 4.A OG1 SER 5.A OG no hydrogen 2.931 N/A SER 5.A N GLU 30.A OE1 no hydrogen 3.018 N/A SER 5.A OG THR 4.A OG1 no hydrogen 2.931 N/A THR 7.A N THR 4.A O no hydrogen 3.210 N/A THR 7.A OG1 THR 4.A O no hydrogen 3.140 N/A ILE 8.A N SER 5.A O no hydrogen 3.258 N/A LEU 11.A N ILE 8.A O no hydrogen 3.134 N/A THR 13.A OG1 GLY 10.A O no hydrogen 3.496 N/A ALA 14.A N LEU 11.A O no hydrogen 3.323 N/A HIS 18.A NE2 GLY 176.A O no hydrogen 2.739 N/A LEU 21.A N HIS 18.A ND1 no hydrogen 3.013 N/A LEU 22.A N HIS 18.A O no hydrogen 3.128 N/A SER 23.A N GLN 19.A O no hydrogen 2.808 N/A SER 23.A OG GLN 19.A O no hydrogen 3.160 N/A TRP 24.A N GLY 20.A O no hydrogen 2.987 N/A VAL 25.A N LEU 21.A O no hydrogen 2.860 N/A GLU 26.A N LEU 22.A O no hydrogen 3.015 N/A GLU 27.A N SER 23.A O no hydrogen 2.943 N/A VAL 28.A N TRP 24.A O no hydrogen 2.838 N/A ALA 29.A N VAL 25.A O no hydrogen 2.731 N/A GLU 30.A N GLU 26.A O no hydrogen 2.942 N/A LEU 31.A N GLU 27.A O no hydrogen 3.204 N/A THR 32.A N VAL 28.A O no hydrogen 2.886 N/A THR 32.A OG1 VAL 28.A O no hydrogen 3.358 N/A GLN 33.A N ALA 29.A O no hydrogen 2.872 N/A GLN 33.A NE2 MET 3.A O no hydrogen 2.748 N/A GLN 33.A NE2 GLU 30.A O no hydrogen 2.805 N/A ASP 35.A N ARG 125.A O no hydrogen 2.859 N/A VAL 37.A N PRO 9.A O no hydrogen 2.854 N/A VAL 38.A N MET 127.A O no hydrogen 2.866 N/A THR 40.A N VAL 129.A O no hydrogen 2.991 N/A THR 40.A OG1 VAL 129.A O no hydrogen 3.413 N/A ASP 41.A N GLU 46.A OE2 no hydrogen 2.808 N/A GLY 42.A N GLU 46.A OE1 no hydrogen 2.763 N/A SER 43.A N ASP 41.A OD1 no hydrogen 3.044 N/A SER 43.A OG ASP 41.A OD1 no hydrogen 3.170 N/A GLU 46.A N SER 43.A OG no hydrogen 3.093 N/A PHE 47.A N SER 43.A O no hydrogen 2.996 N/A GLN 48.A N GLU 44.A O no hydrogen 3.036 N/A GLN 48.A NE2 GLU 44.A OE1.B no hydrogen 3.511 N/A GLN 48.A NE2 GLU 44.A OE2.A no hydrogen 2.818 N/A GLN 48.A NE2 ASN 70.A OD1 no hydrogen 3.033 N/A ARG 49.A N GLU 45.A O no hydrogen 3.061 N/A LEU 50.A N GLU 46.A O no hydrogen 2.937 N/A CYS 51.A N PHE 47.A O no hydrogen 2.992 N/A CYS 51.A SG PHE 47.A O no hydrogen 3.208 N/A ASP 52.A N GLN 48.A O no hydrogen 2.875 N/A GLN 53.A N ARG 49.A O no hydrogen 3.138 N/A LEU 54.A N LEU 50.A O no hydrogen 2.882 N/A VAL 55.A N CYS 51.A O no hydrogen 2.838 N/A GLU 56.A N ASP 52.A O no hydrogen 2.872 N/A ALA 57.A N GLN 53.A O no hydrogen 3.036 N/A GLY 58.A N VAL 55.A O no hydrogen 2.956 N/A THR 59.A OG1 ALA 197.A O no hydrogen 2.587 N/A PHE 60.A N LEU 54.A O no hydrogen 2.986 N/A ILE 61.A N LEU 73.A O no hydrogen 2.936 N/A LEU 63.A N SER 71.A O no hydrogen 2.859 N/A ASN 64.A N GLY 354.A O no hydrogen 2.959 N/A ASN 64.A ND2 ASP 353.A O no hydrogen 2.716 N/A GLU 66.A N ASN 64.A OD1 no hydrogen 2.990 N/A LYS 67.A N ASN 64.A O no hydrogen 3.099 N/A LYS 67.A NZ ASP 353.A OD2 no hydrogen 3.108 N/A HIS 68.A N ASN 64.A O no hydrogen 2.967 N/A HIS 68.A NE2 ASP 355.A OD1 no hydrogen 2.665 N/A LYS 69.A NZ ALA 340.A O no hydrogen 3.365 N/A ASN 70.A ND2 ASN 342.A OD1 no hydrogen 2.891 N/A SER 71.A OG LYS 69.A O no hydrogen 2.867 N/A TYR 72.A N THR 343.A O no hydrogen 2.975 N/A TYR 72.A OH ASN 70.A OD1 no hydrogen 2.911 N/A LEU 73.A N ILE 61.A O no hydrogen 3.009 N/A ALA 74.A N PHE 345.A O no hydrogen 2.788 N/A SER 76.A N ASN 347.A OD1 no hydrogen 2.821 N/A SER 76.A OG ASP 77.A O no hydrogen 3.342 N/A SER 76.A OG ASP 80.A O no hydrogen 3.561 N/A SER 79.A N ASP 77.A OD1 no hydrogen 3.033 N/A SER 79.A OG ASP 77.A OD1 no hydrogen 2.724 N/A ASP 80.A N ASP 77.A O no hydrogen 2.869 N/A ARG 87.A N VAL 84.A O no hydrogen 3.217 N/A ARG 87.A NE LYS 204.A O no hydrogen 2.938 N/A ARG 87.A NH2 LYS 204.A O no hydrogen 2.953 N/A THR 88.A N ALA 85.A O no hydrogen 2.921 N/A THR 88.A OG1 VAL 84.A O no hydrogen 2.677 N/A THR 88.A OG1 ALA 85.A O no hydrogen 3.460 N/A TYR 89.A N ILE 206.A O no hydrogen 2.816 N/A ILE 90.A N ASN 103.A O no hydrogen 2.666 N/A CYS 91.A N HIS 208.A O no hydrogen 2.897 N/A CYS 91.A SG MET 105.A O no hydrogen 3.413 N/A SER 92.A OG LYS 94.A O no hydrogen 2.770 N/A ALA 93.A N GLU 211.A OE2 no hydrogen 2.892 N/A ASP 97.A N LYS 94.A O no hydrogen 2.989 N/A ALA 98.A N GLU 95.A O no hydrogen 2.829 N/A GLY 99.A N GLU 95.A O no hydrogen 3.003 N/A ASN 102.A N GLY 99.A O no hydrogen 3.006 N/A ASN 102.A ND2 ALA 98.A O no hydrogen 2.946 N/A ASN 102.A ND2 LEU 463.A O no hydrogen 3.012 N/A ASN 103.A ND2 THR 88.A O no hydrogen 2.893 N/A TRP 104.A NE1 SER 92.A O no hydrogen 2.672 N/A GLU 109.A N ASP 106.A OD1 no hydrogen 3.043 N/A MET 110.A N ASP 106.A O no hydrogen 2.929 N/A ARG 111.A N PRO 107.A O no hydrogen 2.870 N/A ARG 111.A NH1 GLU 214.A OE1 no hydrogen 3.545 N/A ARG 111.A NH2 GLU 214.A OE1 no hydrogen 3.075 N/A SER 112.A N GLY 108.A O no hydrogen 3.089 N/A ILE 113.A N GLU 109.A O no hydrogen 3.074 N/A MET 114.A N MET 110.A O no hydrogen 2.843 N/A LYS 115.A N ARG 111.A O no hydrogen 2.935 N/A ASP 116.A N SER 112.A O no hydrogen 3.439 N/A LEU 117.A N ILE 113.A O no hydrogen 3.113 N/A TYR 118.A N MET 114.A O no hydrogen 2.794 N/A TYR 118.A OH SER 217.A O no hydrogen 2.771 N/A ARG 119.A N LYS 115.A O no hydrogen 3.214 N/A ARG 119.A N ASP 116.A O no hydrogen 3.395 N/A ARG 119.A NH1 ASP 116.A OD1 no hydrogen 3.148 N/A ARG 119.A NH2 ASP 116.A OD1 no hydrogen 3.137 N/A GLY 120.A N LEU 31.A O no hydrogen 2.844 N/A CYS 121.A N TYR 118.A O no hydrogen 3.075 N/A CYS 121.A SG TYR 118.A O no hydrogen 3.262 N/A CYS 121.A SG SER 184.A OG no hydrogen 3.280 N/A MET 122.A N THR 32.A O no hydrogen 2.874 N/A ARG 123.A NH1 GLU 190.A OE2 no hydrogen 2.995 N/A ARG 123.A NH2 GLU 190.A OE1 no hydrogen 3.155 N/A GLY 124.A N ASP 35.A OD1 no hydrogen 3.132 N/A ARG 125.A N MET 122.A O no hydrogen 2.918 N/A ARG 125.A NE ALA 187.A O no hydrogen 2.983 N/A ARG 125.A NH1 ASP 195.A OD2 no hydrogen 2.891 N/A ARG 125.A NH2 ALA 187.A O no hydrogen 2.822 N/A ARG 125.A NH2 ASP 195.A OD1 no hydrogen 3.093 N/A MET 127.A N ARG 36.A O no hydrogen 2.737 N/A TYR 128.A N THR 149.A O no hydrogen 2.762 N/A VAL 129.A N VAL 38.A O no hydrogen 2.701 N/A VAL 130.A N GLU 147.A O no hydrogen 2.786 N/A PHE 132.A N GLY 145.A O no hydrogen 2.781 N/A CYS 133.A N ARG 163.A O no hydrogen 2.784 N/A CYS 133.A SG MET 134.A O no hydrogen 3.936 N/A CYS 133.A SG GLY 135.A O no hydrogen 3.490 N/A MET 134.A N LYS 143.A O no hydrogen 2.924 N/A GLY 135.A N PRO 315.A O no hydrogen 2.897 N/A ASP 141.A N GLU 140.A OE1 no hydrogen 2.338 N/A LYS 143.A NZ GLU 245.A OE1 no hydrogen 2.824 N/A LYS 143.A NZ GLU 245.A OE2 no hydrogen 3.303 N/A GLY 145.A N PHE 132.A O no hydrogen 2.816 N/A VAL 146.A N VAL 179.A O no hydrogen 3.103 N/A GLU 147.A N VAL 130.A O no hydrogen 2.809 N/A ILE 148.A N ALA 181.A O no hydrogen 2.726 N/A THR 149.A N TYR 128.A O no hydrogen 2.987 N/A THR 149.A OG1 HIS 183.A ND1 no hydrogen 2.820 N/A SER 151.A N THR 149.A OG1 no hydrogen 2.827 N/A TYR 153.A OH THR 346.A OG1 no hydrogen 2.557 N/A VAL 154.A N SER 151.A OG no hydrogen 3.113 N/A VAL 155.A N SER 151.A O no hydrogen 3.151 N/A VAL 156.A N GLU 152.A O no hydrogen 3.035 N/A SER 157.A N TYR 153.A O no hydrogen 3.204 N/A SER 157.A OG.B TYR 153.A O no hydrogen 3.438 N/A MET 158.A N VAL 154.A O no hydrogen 2.869 N/A ARG 159.A N VAL 155.A O no hydrogen 3.087 N/A ARG 159.A N VAL 156.A O no hydrogen 3.188 N/A ARG 159.A NE GLY 42.A O no hydrogen 3.147 N/A ARG 159.A NH1 GLU 44.A OE2.B no hydrogen 3.532 N/A ARG 159.A NH2 GLY 42.A O no hydrogen 3.237 N/A ARG 159.A NH2 GLU 44.A OE1.A no hydrogen 3.363 N/A THR 160.A N VAL 156.A O no hydrogen 3.379 N/A MET 161.A N SER 157.A O no hydrogen 2.811 N/A THR 162.A N MET 158.A O no hydrogen 2.985 N/A THR 162.A OG1 MET 158.A O no hydrogen 2.640 N/A ARG 163.A N CYS 133.A O no hydrogen 3.434 N/A ARG 163.A NH1 GLU 316.A O no hydrogen 2.848 N/A ARG 163.A NH2 ASP 407.A OD2 no hydrogen 2.717 N/A GLY 165.A N PRO 131.A O no hydrogen 2.784 N/A LYS 166.A N ASP 41.A O no hydrogen 2.976 N/A LEU 169.A N GLY 165.A O no hydrogen 3.026 N/A GLU 170.A N LYS 166.A O no hydrogen 2.918 N/A LYS 171.A N ALA 167.A O no hydrogen 2.953 N/A LYS 171.A NZ LEU 137.A O no hydrogen 2.872 N/A MET 172.A N ALA 168.A O no hydrogen 3.188 N/A MET 172.A N LEU 169.A O no hydrogen 3.216 N/A GLY 173.A N GLU 170.A O no hydrogen 2.934 N/A ASP 174.A N ASP 174.A OD1 no hydrogen 2.603 N/A GLY 176.A N MET 172.A O no hydrogen 2.831 N/A VAL 179.A N LEU 144.A O no hydrogen 2.966 N/A ALA 181.A N VAL 146.A O no hydrogen 2.972 N/A LEU 182.A N ILE 215.A O no hydrogen 2.831 N/A HIS 183.A N ILE 148.A O no hydrogen 2.743 N/A HIS 183.A ND1 THR 149.A OG1 no hydrogen 2.820 N/A HIS 183.A NE2 SER 220.A O no hydrogen 2.735 N/A SER 184.A N SER 217.A O no hydrogen 3.208 N/A SER 184.A OG ASP 150.A OD2 no hydrogen 2.685 N/A VAL 185.A N ASP 150.A OD1 no hydrogen 3.000 N/A GLY 186.A N SER 184.A OG no hydrogen 2.993 N/A LEU 189.A N ARG 123.A O no hydrogen 2.764 N/A GLU 190.A N GLN 193.A OE1 no hydrogen 2.967 N/A GLN 193.A N GLU 190.A O no hydrogen 3.086 N/A VAL 196.A N ASP 195.A OD1 no hydrogen 2.801 N/A TRP 198.A NE1 ASP 80.A OD2 no hydrogen 2.726 N/A CYS 200.A SG TRP 198.A O no hydrogen 4.019 N/A SER 201.A N GLY 219.A O no hydrogen 2.739 N/A SER 201.A OG THR 203.A O no hydrogen 3.274 N/A THR 203.A N SER 201.A OG no hydrogen 2.856 N/A LYS 204.A NZ SER 79.A O no hydrogen 2.921 N/A TYR 205.A N TYR 218.A O no hydrogen 2.847 N/A ILE 206.A N ARG 87.A O no hydrogen 2.978 N/A THR 207.A N TRP 216.A O no hydrogen 2.809 N/A HIS 208.A N TYR 89.A O no hydrogen 3.123 N/A HIS 208.A ND1 TYR 89.A O no hydrogen 2.983 N/A PHE 209.A N GLU 214.A O no hydrogen 2.789 N/A GLU 211.A N GLU 211.A OE1 no hydrogen 2.792 N/A THR 212.A OG1 GLU 214.A OE1 no hydrogen 2.848 N/A ARG 213.A N PRO 210.A O no hydrogen 3.229 N/A ARG 213.A NH1 PRO 210.A O no hydrogen 2.815 N/A ARG 213.A NH1 ASP 244.A OD2 no hydrogen 3.473 N/A ARG 213.A NH2 ASP 244.A OD2 no hydrogen 2.882 N/A GLU 214.A N PHE 209.A O no hydrogen 3.069 N/A ILE 215.A N LYS 180.A O no hydrogen 2.969 N/A TRP 216.A N THR 207.A O no hydrogen 2.777 N/A SER 217.A N LEU 182.A O no hydrogen 2.737 N/A SER 217.A OG ASN 225.A O no hydrogen 2.626 N/A TYR 218.A N TYR 205.A O no hydrogen 2.866 N/A GLY 219.A N SER 184.A O no hydrogen 2.876 N/A SER 220.A OG ASP 80.A OD1 no hydrogen 2.675 N/A GLY 221.A N ASP 80.A OD2 no hydrogen 2.927 N/A TYR 222.A N SER 220.A OG no hydrogen 3.130 N/A TYR 222.A OH ASN 389.A O no hydrogen 3.289 N/A ASN 225.A N TYR 222.A O no hydrogen 2.934 N/A ASN 225.A ND2 ALA 82.A O no hydrogen 2.926 N/A ASN 225.A ND2 SER 220.A OG no hydrogen 2.943 N/A ALA 226.A N GLY 223.A O no hydrogen 3.105 N/A LEU 227.A N GLY 223.A O no hydrogen 2.727 N/A LEU 228.A N GLU 147.A OE1 no hydrogen 3.163 N/A LYS 230.A N LEU 227.A O no hydrogen 3.076 N/A LYS 230.A NZ LYS 230.A O no hydrogen 3.278 N/A LYS 230.A NZ ASP 298.A OD2 no hydrogen 2.271 N/A LYS 230.A NZ GLU 316.A OE1 no hydrogen 3.057 N/A LYS 230.A NZ GLU 316.A OE2 no hydrogen 3.162 N/A LYS 231.A NZ ASP 298.A OD1 no hydrogen 3.099 N/A LYS 231.A NZ ASP 298.A OD2 no hydrogen 2.773 N/A CYS 232.A SG HIS 208.A NE2 no hydrogen 3.289 N/A CYS 232.A SG GLY 224.A O no hydrogen 3.603 N/A TYR 233.A N LEU 228.A O no hydrogen 2.966 N/A TYR 233.A OH LEU 144.A O no hydrogen 2.895 N/A SER 234.A N GLY 229.A O no hydrogen 3.080 N/A SER 234.A OG.A GLY 229.A O no hydrogen 3.140 N/A SER 234.A OG.A LYS 230.A O no hydrogen 2.501 N/A SER 234.A OG.B GLY 229.A O no hydrogen 2.893 N/A LEU 235.A N LYS 231.A O no hydrogen 2.931 N/A ARG 236.A N LYS 231.A O no hydrogen 2.996 N/A ARG 236.A NE PRO 461.A O no hydrogen 3.137 N/A ARG 236.A NH1 HIS 208.A NE2 no hydrogen 3.421 N/A ARG 236.A NH2 PRO 461.A O no hydrogen 2.972 N/A ILE 237.A N CYS 232.A O no hydrogen 2.881 N/A ALA 238.A N TYR 233.A O no hydrogen 2.874 N/A SER 239.A N LEU 235.A O no hydrogen 2.858 N/A SER 239.A OG LEU 235.A O no hydrogen 2.904 N/A SER 239.A OG ARG 236.A O no hydrogen 3.116 N/A MET 241.A N ILE 237.A O no hydrogen 3.047 N/A ALA 242.A N ALA 238.A O no hydrogen 2.787 N/A HIS 243.A N SER 239.A O no hydrogen 2.947 N/A ASP 244.A N ALA 240.A O no hydrogen 3.317 N/A GLU 245.A N MET 241.A O no hydrogen 2.832 N/A GLY 246.A N ALA 242.A O no hydrogen 2.916 N/A TRP 247.A N ALA 242.A O no hydrogen 3.020 N/A TRP 247.A NE1 GLU 245.A OE1 no hydrogen 2.982 N/A LEU 248.A N MET 302.A O no hydrogen 2.884 N/A GLU 250.A N ALA 300.A O no hydrogen 2.790 N/A HIS 251.A ND1 ALA 458.A O no hydrogen 2.696 N/A LEU 253.A N ALA 269.A O no hydrogen 3.116 N/A ILE 254.A N GLY 296.A O no hydrogen 2.975 N/A LEU 255.A N PHE 267.A O no hydrogen 2.747 N/A LYS 256.A N GLU 293.A O no hydrogen 2.763 N/A LYS 256.A NZ GLU 293.A OE1 no hydrogen 3.434 N/A LYS 256.A NZ GLU 405.A OE1 no hydrogen 3.149 N/A LYS 256.A NZ GLU 405.A OE2 no hydrogen 2.895 N/A LEU 257.A N TYR 265.A O no hydrogen 2.721 N/A ILE 258.A N ARG 291.A O no hydrogen 2.844 N/A SER 259.A N LYS 263.A O no hydrogen 3.020 N/A SER 259.A OG LYS 263.A O no hydrogen 3.440 N/A ASN 262.A N SER 259.A O no hydrogen 2.773 N/A LYS 263.A NZ GLU 523.A OE2 no hydrogen 2.784 N/A TYR 265.A N LEU 257.A O no hydrogen 2.653 N/A TYR 265.A OH GLU 523.A OE2 no hydrogen 2.329 N/A PHE 267.A N LEU 255.A O no hydrogen 2.821 N/A ALA 268.A N GLY 416.A O no hydrogen 3.073 N/A ALA 269.A N LEU 253.A O no hydrogen 3.188 N/A ALA 270.A N LEU 418.A O no hydrogen 2.784 N/A CYS 275.A N PRO 272.A O no hydrogen 3.117 N/A CYS 275.A SG SER 273.A O no hydrogen 3.598 N/A CYS 275.A SG SER 448.A OG no hydrogen 3.564 N/A CYS 275.A SG GLN 450.A OE1 no hydrogen 3.161 N/A LYS 277.A NZ HIS 251.A NE2 no hydrogen 3.422 N/A LYS 277.A NZ PHE 271.A O no hydrogen 2.950 N/A THR 278.A OG1 ASP 297.A OD2 no hydrogen 3.269 N/A ALA 281.A N LYS 277.A O no hydrogen 2.695 N/A MET 282.A N THR 278.A O no hydrogen 3.175 N/A LEU 283.A N LEU 280.A O no hydrogen 3.030 N/A THR 286.A N SER 512.A OG no hydrogen 3.261 N/A THR 286.A OG1 GLY 509.A O no hydrogen 3.435 N/A THR 286.A OG1 GLU 510.A OE2 no hydrogen 2.503 N/A TRP 290.A N ILE 287.A O no hydrogen 3.398 N/A ARG 291.A N ILE 258.A O no hydrogen 3.026 N/A ARG 291.A NH1 ASN 262.A OD1 no hydrogen 2.522 N/A ARG 291.A NH2 ASN 262.A OD1 no hydrogen 3.048 N/A ARG 291.A NH2 GLY 289.A O no hydrogen 2.960 N/A GLU 293.A N LYS 256.A O no hydrogen 2.778 N/A THR 294.A N ILE 401.A O no hydrogen 2.901 N/A LEU 295.A N ILE 254.A O no hydrogen 2.989 N/A ALA 300.A N GLU 250.A O no hydrogen 2.961 N/A TRP 301.A N VAL 313.A O no hydrogen 2.903 N/A TRP 301.A NE1 SER 234.A O no hydrogen 2.952 N/A MET 302.A N LEU 248.A O no hydrogen 2.810 N/A ARG 303.A N TYR 311.A O no hydrogen 3.016 N/A GLY 305.A N ARG 309.A O no hydrogen 2.838 N/A GLY 308.A N GLY 305.A O no hydrogen 3.165 N/A ARG 309.A N ASP 307.A OD1 no hydrogen 3.134 N/A ARG 309.A NE ASP 307.A OD2 no hydrogen 2.567 N/A ARG 309.A NH2 ASP 307.A OD2 no hydrogen 3.238 N/A TYR 311.A N ARG 303.A O no hydrogen 2.845 N/A TYR 311.A OH ASP 307.A OD1 no hydrogen 3.304 N/A TYR 311.A OH ASP 307.A OD2 no hydrogen 2.975 N/A ALA 312.A N VAL 412.A O no hydrogen 2.849 N/A VAL 313.A N TRP 301.A O no hydrogen 2.846 N/A ASN 314.A ND2 LEU 295.A O no hydrogen 2.776 N/A GLU 316.A N ASN 314.A OD1 no hydrogen 2.909 N/A PHE 317.A N MET 161.A O no hydrogen 2.851 N/A PHE 319.A N THR 394.A O no hydrogen 2.716 N/A GLY 321.A N TYR 392.A O no hydrogen 3.012 N/A ALA 323.A N SER 390.A O no hydrogen 2.915 N/A GLY 325.A N GLU 359.A O no hydrogen 3.307 N/A THR 326.A N ALA 323.A O no hydrogen 2.959 N/A THR 326.A OG1 VAL 322.A O no hydrogen 2.795 N/A THR 326.A OG1 ALA 323.A O no hydrogen 3.066 N/A ASN 327.A ND2 GLY 360.A O no hydrogen 2.616 N/A TRP 328.A N GLU 362.A OE2 no hydrogen 3.114 N/A LYS 329.A N GLU 362.A OE1 no hydrogen 3.191 N/A LYS 329.A NZ GLU 362.A OE1 no hydrogen 2.747 N/A SER 330.A N ASN 327.A OD1 no hydrogen 2.958 N/A SER 330.A OG ASN 327.A OD1 no hydrogen 3.243 N/A ASN 331.A N ASN 327.A O no hydrogen 2.812 N/A ASN 331.A ND2 THR 278.A O no hydrogen 3.660 N/A ALA 334.A N ASN 331.A OD1 no hydrogen 3.279 N/A MET 335.A N ASN 331.A O no hydrogen 3.151 N/A ARG 336.A N PRO 332.A O no hydrogen 2.855 N/A THR 337.A N ASN 333.A O no hydrogen 3.005 N/A THR 337.A OG1 ASN 333.A O no hydrogen 2.682 N/A ILE 338.A N ALA 334.A O no hydrogen 3.099 N/A ALA 339.A N MET 335.A O no hydrogen 2.820 N/A ALA 340.A N ARG 336.A O no hydrogen 3.397 N/A GLY 341.A N ILE 338.A O no hydrogen 2.941 N/A ASN 342.A N LYS 69.A O no hydrogen 2.810 N/A ASN 342.A ND2 GLN 398.A OE1 no hydrogen 2.699 N/A THR 343.A N SER 71.A OG no hydrogen 3.278 N/A THR 343.A OG1 GLY 341.A O no hydrogen 2.765 N/A THR 343.A OG1 THR 394.A OG1 no hydrogen 2.877 N/A VAL 344.A N CYS 393.A O no hydrogen 3.074 N/A PHE 345.A N TYR 72.A O no hydrogen 2.704 N/A THR 346.A N ARG 391.A O no hydrogen 2.846 N/A THR 346.A OG1 TYR 153.A OH no hydrogen 2.557 N/A ASN 347.A N ALA 74.A O no hydrogen 2.834 N/A ASN 347.A ND2 SER 76.A OG no hydrogen 2.808 N/A ALA 349.A N TRP 357.A O no hydrogen 2.931 N/A LEU 350.A N ILE 369.A O no hydrogen 2.900 N/A THR 351.A N ASP 355.A O no hydrogen 2.895 N/A THR 351.A OG1 ASP 353.A OD1 no hydrogen 2.662 N/A GLY 354.A N THR 351.A O no hydrogen 3.064 N/A ASP 355.A N THR 351.A OG1 no hydrogen 2.791 N/A VAL 356.A N ASP 355.A OD1 no hydrogen 2.772 N/A TRP 357.A N ALA 349.A O no hydrogen 2.925 N/A TRP 357.A NE1 GLU 362.A O no hydrogen 2.965 N/A TRP 358.A NE1 THR 326.A O no hydrogen 2.814 N/A GLU 359.A N GLU 359.A OE1 no hydrogen 2.810 N/A LEU 361.A N TRP 358.A O no hydrogen 3.027 N/A GLU 362.A N GLU 362.A OE2 no hydrogen 2.634 N/A GLN 366.A NE2 ASP 364.A O no hydrogen 2.780 N/A HIS 367.A ND1 ASP 352.A OD1 no hydrogen 2.862 N/A HIS 367.A NE2 ASP 375.A OD1 no hydrogen 2.611 N/A LEU 368.A N TRP 376.A O no hydrogen 3.044 N/A ILE 369.A N LEU 350.A O no hydrogen 3.027 N/A ASP 370.A N ASN 374.A O no hydrogen 2.805 N/A TRP 371.A N ALA 385.A O no hydrogen 2.860 N/A LYS 372.A N ASP 370.A OD1 no hydrogen 3.111 N/A GLY 373.A N ASP 370.A O no hydrogen 2.994 N/A ASN 374.A N ASP 370.A OD1 no hydrogen 2.875 N/A TRP 376.A N LEU 368.A O no hydrogen 2.851 N/A TRP 376.A NE1 THR 383.A O no hydrogen 3.122 N/A TYR 377.A N THR 381.A OG1 no hydrogen 2.669 N/A PHE 378.A N GLN 366.A O no hydrogen 3.062 N/A THR 381.A N TYR 377.A O no hydrogen 3.101 N/A THR 381.A OG1 TYR 377.A O no hydrogen 3.374 N/A ALA 385.A N GLU 359.A OE2 no hydrogen 2.713 N/A ALA 386.A N GLU 359.A OE1 no hydrogen 3.129 N/A HIS 387.A N ASN 347.A O no hydrogen 2.865 N/A ASN 389.A N HIS 387.A ND1 no hydrogen 2.961 N/A ASN 389.A ND2 VAL 81.A O no hydrogen 3.220 N/A SER 390.A N HIS 387.A O no hydrogen 3.004 N/A SER 390.A OG HIS 387.A O no hydrogen 2.703 N/A ARG 391.A N THR 346.A O no hydrogen 2.972 N/A ARG 391.A NE ASN 389.A O no hydrogen 3.378 N/A ARG 391.A NH1 ASN 389.A OD1 no hydrogen 3.562 N/A ARG 391.A NH2 PHE 320.A O no hydrogen 3.170 N/A TYR 392.A N GLY 321.A O no hydrogen 3.004 N/A CYS 393.A N VAL 344.A O no hydrogen 2.845 N/A THR 394.A N PHE 319.A O no hydrogen 2.946 N/A THR 394.A OG1 THR 343.A OG1 no hydrogen 2.877 N/A MET 396.A N PHE 317.A O no hydrogen 3.197 N/A GLN 398.A NE2 THR 337.A O no hydrogen 2.881 N/A GLN 398.A NE2 GLY 341.A O no hydrogen 3.066 N/A CYS 399.A N MET 396.A O no hydrogen 2.922 N/A CYS 399.A SG THR 337.A OG1 no hydrogen 3.767 N/A LEU 402.A N CYS 399.A O no hydrogen 2.986 N/A ALA 403.A N THR 294.A O no hydrogen 3.015 N/A GLU 405.A N GLU 405.A OE1 no hydrogen 2.626 N/A TRP 406.A N ALA 403.A O no hydrogen 2.873 N/A ASP 408.A N GLU 405.A O no hydrogen 3.100 N/A GLN 410.A N ASP 408.A OD1 no hydrogen 2.855 N/A GLY 411.A N ASP 408.A O no hydrogen 3.047 N/A VAL 412.A N ALA 312.A O no hydrogen 2.917 N/A ILE 414.A N LEU 310.A O no hydrogen 2.789 N/A SER 415.A N TYR 266.A O no hydrogen 2.941 N/A ILE 417.A N LYS 488.A O no hydrogen 2.828 N/A LEU 418.A N ALA 268.A O no hydrogen 2.744 N/A PHE 419.A N PHE 490.A O no hydrogen 2.839 N/A GLY 420.A N ALA 270.A O no hydrogen 3.417 N/A ARG 422.A N SER 448.A OG no hydrogen 2.906 N/A ARG 422.A NE ALA 274.A O no hydrogen 2.530 N/A ARG 422.A NH2 ALA 274.A O no hydrogen 2.717 N/A ARG 423.A NH1 GLU 568.A OE1 no hydrogen 3.555 N/A ARG 423.A NH1 GLU 568.A OE2 no hydrogen 3.033 N/A ARG 423.A NH2 GLU 568.A OE1 no hydrogen 2.936 N/A LYS 424.A N GLU 449.A OE1 no hydrogen 2.954 N/A THR 425.A OG1 THR 426.A OG1 no hydrogen 2.648 N/A THR 426.A OG1 THR 425.A OG1 no hydrogen 2.648 N/A VAL 427.A N THR 425.A O no hydrogen 2.855 N/A LEU 429.A N ALA 557.A O no hydrogen 2.991 N/A THR 431.A N PHE 491.A O no hydrogen 2.708 N/A GLU 432.A N THR 535.A O no hydrogen 2.898 N/A ALA 433.A N VAL 489.A O no hydrogen 2.769 N/A ARG 434.A N HIS 438.A ND1 no hydrogen 2.910 N/A TRP 436.A NE1 TRP 474.A O no hydrogen 2.961 N/A GLN 437.A NE2 GLU 590.A OE1 no hydrogen 3.190 N/A HIS 438.A N ASP 435.A OD1 no hydrogen 2.958 N/A GLY 439.A N ASP 435.A O no hydrogen 2.992 N/A VAL 440.A N TRP 436.A O no hydrogen 2.783 N/A PHE 441.A N GLN 437.A O no hydrogen 3.127 N/A ILE 442.A N HIS 438.A O no hydrogen 2.977 N/A GLY 443.A N GLY 439.A O no hydrogen 2.898 N/A ALA 444.A N VAL 440.A O no hydrogen 2.635 N/A THR 445.A N ILE 442.A O no hydrogen 3.372 N/A THR 445.A OG1 PHE 441.A O no hydrogen 2.893 N/A LEU 446.A N GLY 443.A O no hydrogen 3.374 N/A SER 448.A N ARG 453.A O no hydrogen 2.918 N/A SER 448.A OG GLN 450.A OE1 no hydrogen 2.592 N/A GLU 449.A N ARG 422.A O no hydrogen 2.747 N/A GLN 450.A NE2 SER 273.A O no hydrogen 3.306 N/A ARG 453.A N SER 448.A O no hydrogen 3.167 N/A ARG 453.A NH2 GLN 450.A OE1 no hydrogen 2.921 N/A ARG 454.A NH1 THR 445.A O no hydrogen 2.719 N/A ARG 454.A NH1 GLU 568.A OE2 no hydrogen 2.994 N/A ARG 454.A NH2 GLU 568.A OE2 no hydrogen 2.891 N/A ASP 455.A N LEU 446.A O no hydrogen 2.788 N/A MET 457.A N GLY 443.A O no hydrogen 2.962 N/A ALA 458.A N ASP 455.A O no hydrogen 3.105 N/A MET 459.A N PRO 456.A O no hydrogen 2.642 N/A LEU 460.A N ASP 455.A OD1 no hydrogen 2.777 N/A PHE 462.A N MET 459.A O no hydrogen 2.804 N/A GLY 464.A N SER 239.A OG no hydrogen 3.003 N/A ASN 466.A ND2 ILE 96.A O no hydrogen 2.720 N/A GLY 468.A N ASN 466.A OD1 no hydrogen 2.807 N/A ASP 469.A N ASN 466.A OD1 no hydrogen 3.456 N/A TYR 470.A N ASN 466.A O no hydrogen 2.965 N/A TYR 470.A OH GLU 250.A OE1 no hydrogen 2.544 N/A TYR 470.A OH GLU 250.A OE2 no hydrogen 3.366 N/A PHE 471.A N VAL 467.A O no hydrogen 2.987 N/A GLN 472.A N GLY 468.A O no hydrogen 3.020 N/A GLN 472.A NE2 GLN 472.A O no hydrogen 3.455 N/A GLN 472.A NE2 ASN 476.A OD1 no hydrogen 2.803 N/A HIS 473.A N ASP 469.A O no hydrogen 2.809 N/A HIS 473.A NE2 TRP 247.A O no hydrogen 2.696 N/A TRP 474.A N TYR 470.A O no hydrogen 3.067 N/A TRP 474.A NE1 GLU 250.A OE2 no hydrogen 2.972 N/A ILE 475.A N PHE 471.A O no hydrogen 2.897 N/A ASN 476.A N GLN 472.A O no hydrogen 2.747 N/A LEU 477.A N HIS 473.A O no hydrogen 3.085 N/A GLY 478.A N TRP 474.A O no hydrogen 3.418 N/A LYS 479.A N ILE 475.A O no hydrogen 3.112 N/A LYS 479.A NZ GLN 437.A OE1 no hydrogen 2.692 N/A HIS 480.A N ASN 476.A O no hydrogen 3.254 N/A SER 484.A N ASP 482.A OD1 no hydrogen 3.024 N/A SER 484.A OG ASP 482.A OD1 no hydrogen 2.345 N/A LYS 485.A N ASP 482.A O no hydrogen 2.896 N/A LYS 488.A N SER 415.A O no hydrogen 2.828 N/A LYS 488.A NZ LEU 486.A O no hydrogen 3.561 N/A PHE 490.A N ILE 417.A O no hydrogen 2.718 N/A PHE 491.A N THR 431.A O no hydrogen 2.782 N/A VAL 492.A N PHE 419.A O no hydrogen 2.781 N/A ASN 493.A N LEU 429.A O no hydrogen 2.832 N/A ASN 493.A ND2 ARG 423.A O no hydrogen 2.659 N/A ASN 493.A ND2 VAL 427.A O no hydrogen 3.044 N/A PHE 495.A N ASN 493.A OD1 no hydrogen 3.028 N/A ARG 496.A NH1 ALA 557.A O no hydrogen 3.008 N/A ARG 496.A NH1 ALA 559.A O no hydrogen 2.811 N/A ARG 496.A NH2 ALA 559.A O no hydrogen 3.351 N/A ARG 497.A N LYS 424.A O no hydrogen 2.862 N/A ARG 497.A NE GLY 501.A O no hydrogen 2.965 N/A GLY 498.A N ARG 502.A O no hydrogen 3.018 N/A GLY 501.A N GLY 498.A O no hydrogen 3.043 N/A ARG 502.A N ASP 500.A OD1 no hydrogen 3.441 N/A LEU 504.A N ARG 496.A O no hydrogen 3.026 N/A TRP 505.A NE1 ASN 511.A OD1 no hydrogen 2.883 N/A GLU 510.A N GLY 507.A O no hydrogen 2.895 N/A ASN 511.A N PHE 508.A O no hydrogen 2.741 N/A SER 512.A N GLY 509.A O no hydrogen 2.924 N/A SER 512.A OG GLY 509.A O no hydrogen 2.680 N/A ARG 513.A N GLU 510.A O no hydrogen 2.965 N/A ARG 513.A NE GLU 510.A OE2 no hydrogen 2.702 N/A ARG 513.A NH1 ASP 543.A O no hydrogen 2.869 N/A ARG 513.A NH1 ASP 545.A O no hydrogen 3.034 N/A ARG 513.A NH2 ASP 545.A O no hydrogen 3.112 N/A LEU 515.A N ASN 511.A O no hydrogen 2.944 N/A LYS 516.A N SER 512.A O no hydrogen 2.822 N/A LYS 516.A NZ ASP 543.A OD1 no hydrogen 2.713 N/A TRP 517.A N ARG 513.A O no hydrogen 3.274 N/A TRP 517.A NE1 GLY 527.A O no hydrogen 2.950 N/A ILE 518.A N VAL 514.A O no hydrogen 2.966 N/A VAL 519.A N LEU 515.A O no hydrogen 2.903 N/A ASP 520.A N LYS 516.A O no hydrogen 2.934 N/A ARG 521.A N TRP 517.A O no hydrogen 2.908 N/A ARG 521.A NE GLU 432.A OE2 no hydrogen 2.806 N/A ARG 521.A NH1 ALA 526.A O no hydrogen 3.025 N/A ARG 521.A NH2 GLU 432.A OE2 no hydrogen 2.985 N/A ILE 522.A N ILE 518.A O no hydrogen 3.045 N/A GLU 523.A N VAL 519.A O no hydrogen 2.928 N/A HIS 524.A N ARG 521.A O no hydrogen 3.049 N/A LYS 525.A N ASP 520.A O no hydrogen 2.572 N/A ALA 529.A N VAL 536.A O no hydrogen 2.718 N/A THR 531.A N GLY 534.A O no hydrogen 3.015 N/A THR 531.A OG1 GLY 534.A O no hydrogen 2.575 N/A ILE 533.A N THR 531.A OG1 no hydrogen 3.284 N/A GLY 534.A N THR 531.A O no hydrogen 3.137 N/A GLY 534.A N THR 531.A OG1 no hydrogen 3.254 N/A THR 535.A N GLU 432.A O no hydrogen 3.060 N/A VAL 536.A N ALA 529.A O no hydrogen 2.911 N/A ALA 538.A N ASP 541.A OD2 no hydrogen 2.580 N/A GLU 540.A N GLU 540.A OE2 no hydrogen 2.818 N/A ASP 541.A N ALA 538.A O no hydrogen 2.816 N/A LEU 542.A N VAL 539.A O no hydrogen 3.168 N/A ASP 545.A N ASP 543.A OD2 no hydrogen 2.848 N/A LEU 547.A N LEU 544.A O no hydrogen 3.086 N/A ALA 552.A N ASP 550.A OD1 no hydrogen 3.340 N/A ASP 553.A N ASP 550.A O no hydrogen 3.080 N/A VAL 554.A N ASP 550.A O no hydrogen 3.449 N/A ALA 555.A N ALA 551.A O no hydrogen 2.956 N/A ALA 556.A N ALA 552.A O no hydrogen 2.947 N/A ALA 557.A N ASP 553.A O no hydrogen 2.893 N/A LEU 558.A N VAL 554.A O no hydrogen 3.046 N/A LEU 558.A N ALA 555.A O no hydrogen 3.135 N/A ALA 559.A N ALA 556.A O no hydrogen 3.354 N/A GLU 564.A N ASP 561.A OD2 no hydrogen 3.112 N/A TRP 565.A N ASP 561.A O no hydrogen 3.025 N/A TRP 565.A NE1 THR 426.A O no hydrogen 3.124 N/A ARG 566.A N ALA 562.A O no hydrogen 2.852 N/A ARG 566.A NH2 LEU 598.A O no hydrogen 2.996 N/A ARG 566.A NH2 GLY 599.A O.A no hydrogen 3.552 N/A GLN 567.A N ASP 563.A O no hydrogen 3.239 N/A GLU 568.A N GLU 564.A O no hydrogen 3.165 N/A GLU 568.A N TRP 565.A O no hydrogen 3.160 N/A LEU 569.A N TRP 565.A O no hydrogen 3.211 N/A ILE 572.A N GLU 568.A O no hydrogen 2.976 N/A GLU 573.A N LEU 569.A O no hydrogen 2.793 N/A GLU 574.A N PRO 570.A O no hydrogen 2.940 N/A TRP 575.A N LEU 571.A O no hydrogen 3.222 N/A TRP 575.A NE1 ALA 444.A O no hydrogen 2.948 N/A LEU 576.A N ILE 572.A O no hydrogen 2.921 N/A GLN 577.A N GLU 573.A O no hydrogen 3.042 N/A PHE 578.A N GLU 574.A O no hydrogen 3.042 N/A VAL 579.A N TRP 575.A O no hydrogen 3.027 N/A GLY 580.A N GLN 577.A O no hydrogen 3.069 N/A LYS 582.A NZ ASP 469.A OD1 no hydrogen 2.945 N/A LEU 583.A N GLY 580.A O no hydrogen 3.114 N/A VAL 587.A N PRO 584.A O no hydrogen 3.042 N/A LYS 588.A N PRO 584.A O no hydrogen 3.236 N/A LYS 588.A NZ ASP 592.A OD1 no hydrogen 2.661 N/A LYS 588.A NZ ASP 592.A OD2 no hydrogen 3.278 N/A ASP 589.A N THR 585.A O no hydrogen 2.767 N/A PHE 591.A N VAL 587.A O no hydrogen 3.092 N/A ASP 592.A N LYS 588.A O no hydrogen 2.993 N/A ALA 593.A N ASP 589.A O no hydrogen 2.972 N/A LEU 594.A N GLU 590.A O no hydrogen 2.972 N/A LYS 595.A N PHE 591.A O no hydrogen 2.961 N/A GLU 596.A N ASP 592.A O no hydrogen 2.907 N/A ARG 597.A N ALA 593.A O no hydrogen 2.935 N/A ARG 597.A NE PRO 532.A O no hydrogen 2.642 N/A ARG 597.A NH2 PRO 532.A O no hydrogen 2.967 N/A LEU 598.A N LEU 594.A O no hydrogen 2.968 N/A GLY 599.A N.A LYS 595.A O no hydrogen 3.252 N/A GLY 599.A N.A GLU 596.A O no hydrogen 3.191 N/A