Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ALA 185.A O no hydrogen 3.267 N/A LYS 4.A NZ ASP 164.A OD1 no hydrogen 2.812 N/A LYS 5.A NZ GLU 489.A OE1 no hydrogen 3.010 N/A ILE 13.A N GLU 10.A O no hydrogen 3.058 N/A ARG 14.A N PRO 11.A O no hydrogen 3.088 N/A ARG 14.A NE GLN 18.A OE1 no hydrogen 2.925 N/A ARG 14.A NH1 ILE 140.A O no hydrogen 3.122 N/A ARG 14.A NH1 SER 142.A O no hydrogen 3.199 N/A ARG 14.A NH1 THR 146.A OG1 no hydrogen 2.922 N/A ARG 14.A NH2 GLN 18.A OE1 no hydrogen 3.285 N/A ARG 14.A NH2 ILE 140.A O no hydrogen 2.623 N/A SER 15.A N SER 12.A O no hydrogen 3.346 N/A SER 15.A OG HIS 519.A O no hydrogen 3.245 N/A MET 17.A N ILE 13.A O no hydrogen 2.892 N/A GLN 18.A N ARG 14.A O no hydrogen 2.792 N/A TYR 20.A N VAL 16.A O no hydrogen 3.059 N/A LEU 21.A N MET 17.A O no hydrogen 2.916 N/A GLU 22.A N GLN 18.A O no hydrogen 2.796 N/A ASP 23.A N LYS 19.A O no hydrogen 2.952 N/A ARG 24.A N LEU 21.A O no hydrogen 3.047 N/A ARG 24.A NH1 TYR 20.A O no hydrogen 2.919 N/A GLY 25.A N GLU 22.A O no hydrogen 3.162 N/A GLU 26.A N LEU 21.A O no hydrogen 3.014 N/A GLU 30.A N GLU 30.A OE1 no hydrogen 2.821 N/A LYS 31.A N THR 28.A OG1 no hydrogen 2.954 N/A ILE 32.A N THR 28.A O no hydrogen 3.020 N/A PHE 33.A N PHE 29.A O no hydrogen 2.834 N/A SER 34.A N GLU 30.A O no hydrogen 3.363 N/A SER 34.A OG GLU 30.A O no hydrogen 2.863 N/A SER 34.A OG LYS 31.A O no hydrogen 3.293 N/A GLN 35.A N ILE 32.A O no hydrogen 3.067 N/A GLN 35.A NE2 LYS 31.A O no hydrogen 2.828 N/A LEU 37.A N GLN 475.A OE1 no hydrogen 2.785 N/A TYR 39.A N GLN 35.A O no hydrogen 2.744 N/A TYR 39.A OH GLU 61.A OE1 no hydrogen 2.830 N/A LEU 40.A N LYS 36.A O no hydrogen 3.128 N/A LEU 41.A N LEU 37.A O no hydrogen 3.124 N/A PHE 42.A N GLY 38.A O no hydrogen 2.893 N/A ARG 43.A N TYR 39.A O no hydrogen 2.797 N/A ARG 43.A NE GLU 61.A OE1 no hydrogen 2.744 N/A ARG 43.A NH2 GLU 61.A OE2 no hydrogen 3.155 N/A ASP 44.A N LEU 40.A O no hydrogen 3.142 N/A PHE 45.A N LEU 41.A O no hydrogen 3.143 N/A CYS 46.A N PHE 42.A O no hydrogen 3.064 N/A CYS 46.A SG PHE 42.A O no hydrogen 3.311 N/A LEU 47.A N ARG 43.A O no hydrogen 2.771 N/A ASN 48.A N ASP 44.A O no hydrogen 3.007 N/A ASN 48.A ND2 ASP 44.A O no hydrogen 3.235 N/A ASN 48.A ND2 ASP 44.A OD1 no hydrogen 2.689 N/A HIS 49.A N PHE 45.A O no hydrogen 2.889 N/A ALA 53.A N LEU 50.A O no hydrogen 3.263 N/A ARG 54.A N LEU 50.A O no hydrogen 3.288 N/A VAL 57.A N ALA 53.A O no hydrogen 3.250 N/A GLU 58.A N ARG 54.A O no hydrogen 2.992 N/A PHE 59.A N PRO 55.A O no hydrogen 3.036 N/A TYR 60.A N LEU 56.A O no hydrogen 3.043 N/A GLU 61.A N VAL 57.A O no hydrogen 3.063 N/A GLU 62.A N GLU 58.A O no hydrogen 3.145 N/A ILE 63.A N PHE 59.A O no hydrogen 3.078 N/A LYS 64.A N TYR 60.A O no hydrogen 3.093 N/A LYS 64.A NZ GLU 67.A OE1 no hydrogen 3.494 N/A LYS 64.A NZ GLU 67.A OE2 no hydrogen 3.493 N/A LYS 65.A N GLU 61.A O no hydrogen 3.175 N/A TYR 66.A N GLU 62.A O no hydrogen 3.156 N/A TYR 66.A OH PRO 116.A O no hydrogen 2.722 N/A GLU 67.A N ILE 63.A O no hydrogen 2.940 N/A LYS 68.A N LYS 65.A O no hydrogen 3.281 N/A LYS 68.A NZ LYS 64.A O no hydrogen 3.368 N/A LEU 69.A N TYR 66.A O no hydrogen 3.307 N/A THR 71.A N GLU 74.A OE1 no hydrogen 3.218 N/A THR 71.A OG1 GLU 74.A OE1 no hydrogen 2.585 N/A GLU 74.A N THR 71.A OG1 no hydrogen 3.382 N/A ARG 75.A N THR 71.A O no hydrogen 3.288 N/A ARG 75.A NE LEU 69.A O no hydrogen 3.522 N/A ARG 75.A NH1 VAL 115.A O no hydrogen 2.877 N/A ARG 75.A NH2 GLU 70.A O no hydrogen 3.404 N/A VAL 76.A N GLU 72.A O no hydrogen 2.762 N/A ALA 77.A N GLU 73.A O no hydrogen 3.225 N/A ARG 78.A N GLU 74.A O no hydrogen 2.860 N/A SER 79.A N ARG 75.A O no hydrogen 3.032 N/A SER 79.A OG ARG 75.A O no hydrogen 2.659 N/A SER 79.A OG VAL 76.A O no hydrogen 3.151 N/A ARG 80.A N VAL 76.A O no hydrogen 3.462 N/A GLU 81.A N ALA 77.A O no hydrogen 3.088 N/A ILE 82.A N ARG 78.A O no hydrogen 2.629 N/A PHE 83.A N SER 79.A O no hydrogen 3.211 N/A ASP 84.A N ARG 80.A O no hydrogen 2.901 N/A SER 85.A N GLU 81.A O no hydrogen 3.193 N/A LEU 91.A N ILE 87.A O no hydrogen 3.090 N/A LEU 92.A N MET 88.A O no hydrogen 3.235 N/A ALA 93.A N GLU 90.A O no hydrogen 3.201 N/A SER 99.A N GLU 126.A OE1 no hydrogen 2.745 N/A SER 99.A OG GLU 126.A OE1 no hydrogen 3.489 N/A SER 99.A OG GLU 126.A OE2 no hydrogen 2.516 N/A ALA 102.A N SER 99.A OG no hydrogen 2.842 N/A THR 103.A N SER 99.A O no hydrogen 3.022 N/A THR 103.A OG1 SER 99.A O no hydrogen 2.950 N/A THR 103.A OG1 TYR 123.A OH no hydrogen 3.428 N/A GLU 104.A N LYS 100.A O no hydrogen 2.773 N/A HIS 105.A N SER 101.A O no hydrogen 3.113 N/A VAL 106.A N ALA 102.A O no hydrogen 2.982 N/A GLN 107.A N THR 103.A O no hydrogen 2.773 N/A GLY 108.A N GLU 104.A O no hydrogen 3.200 N/A HIS 109.A N HIS 105.A O no hydrogen 3.333 N/A HIS 109.A ND1 GLN 114.A OE1 no hydrogen 3.121 N/A LEU 110.A N VAL 106.A O no hydrogen 3.037 N/A GLY 111.A N GLN 107.A O no hydrogen 2.793 N/A LYS 112.A N HIS 109.A O no hydrogen 3.137 N/A LYS 113.A N LEU 110.A O no hydrogen 2.896 N/A GLN 114.A N HIS 109.A O no hydrogen 2.857 N/A LEU 119.A N PRO 116.A O no hydrogen 3.064 N/A GLN 121.A N ASP 118.A O no hydrogen 3.368 N/A TYR 123.A OH THR 103.A OG1 no hydrogen 3.428 N/A ILE 124.A N PHE 120.A O no hydrogen 3.252 N/A GLU 125.A N GLN 121.A O no hydrogen 3.182 N/A GLU 126.A N PRO 122.A O no hydrogen 3.287 N/A ILE 127.A N TYR 123.A O no hydrogen 3.052 N/A CYS 128.A N ILE 124.A O no hydrogen 2.956 N/A CYS 128.A SG ILE 124.A O no hydrogen 3.436 N/A GLN 129.A N GLU 125.A O no hydrogen 3.159 N/A ASN 130.A N GLU 126.A O no hydrogen 3.136 N/A LEU 131.A N ILE 127.A O no hydrogen 2.851 N/A LEU 131.A N CYS 128.A O no hydrogen 3.226 N/A ARG 132.A N CYS 128.A O no hydrogen 2.927 N/A ARG 132.A NE GLN 129.A OE1 no hydrogen 3.061 N/A ARG 132.A NH1 GLU 30.A OE2 no hydrogen 3.356 N/A ARG 132.A NH2 GLN 129.A OE1 no hydrogen 2.650 N/A GLN 137.A N GLY 133.A O no hydrogen 3.129 N/A LYS 138.A N ASP 134.A O no hydrogen 2.871 N/A LYS 138.A NZ GLU 52.A OE2 no hydrogen 2.913 N/A PHE 139.A N VAL 135.A O no hydrogen 2.913 N/A ILE 140.A N PHE 136.A O no hydrogen 2.891 N/A GLU 141.A N GLN 137.A O no hydrogen 3.167 N/A SER 142.A N PHE 139.A O no hydrogen 3.015 N/A SER 142.A OG PHE 139.A O no hydrogen 2.730 N/A LYS 144.A N SER 142.A OG no hydrogen 2.994 N/A LYS 144.A NZ ASP 44.A OD2 no hydrogen 3.509 N/A PHE 145.A N SER 142.A O no hydrogen 3.289 N/A THR 146.A N SER 142.A O no hydrogen 3.505 N/A ARG 147.A N ASP 143.A O no hydrogen 2.895 N/A ARG 147.A NE GLN 150.A OE1 no hydrogen 2.924 N/A ARG 147.A NH1 ASN 487.A O no hydrogen 3.260 N/A ARG 147.A NH1 ASN 487.A OD1 no hydrogen 3.161 N/A ARG 147.A NH1 ASP 491.A OD1 no hydrogen 2.976 N/A ARG 147.A NH2 ASP 491.A OD1 no hydrogen 2.843 N/A ARG 147.A NH2 GLU 494.A OE1 no hydrogen 3.116 N/A ARG 147.A NH2 GLU 494.A OE2 no hydrogen 3.305 N/A PHE 148.A N LYS 144.A O no hydrogen 3.071 N/A CYS 149.A N PHE 145.A O no hydrogen 2.969 N/A CYS 149.A SG PHE 145.A O no hydrogen 3.263 N/A GLN 150.A N THR 146.A O no hydrogen 3.058 N/A GLN 150.A NE2 PRO 9.A O no hydrogen 2.602 N/A GLN 150.A NE2 GLU 494.A OE2 no hydrogen 3.039 N/A TRP 151.A N ARG 147.A O no hydrogen 3.071 N/A TRP 151.A NE1 ASN 487.A OD1 no hydrogen 2.839 N/A LYS 152.A N PHE 148.A O no hydrogen 2.708 N/A LYS 152.A NZ GLU 155.A OE1 no hydrogen 2.757 N/A ASN 153.A N CYS 149.A O no hydrogen 2.795 N/A ASN 153.A ND2 SER 589.A OG no hydrogen 2.929 N/A VAL 154.A N GLN 150.A O no hydrogen 3.435 N/A GLU 155.A N TRP 151.A O no hydrogen 3.094 N/A LEU 156.A N LYS 152.A O no hydrogen 3.014 N/A ASN 157.A N VAL 154.A O no hydrogen 3.139 N/A ASN 157.A ND2 ASP 588.A O no hydrogen 3.500 N/A THR 161.A N ASP 164.A OD2 no hydrogen 3.202 N/A ASP 164.A N THR 161.A O no hydrogen 3.124 N/A PHE 165.A N MET 162.A O no hydrogen 3.171 N/A SER 166.A N ARG 183.A O no hydrogen 2.709 N/A SER 166.A OG HIS 168.A NE2 no hydrogen 3.375 N/A HIS 168.A N GLY 181.A O no hydrogen 2.803 N/A ILE 171.A N VAL 179.A O no hydrogen 2.886 N/A GLY 174.A N GLY 177.A O no hydrogen 2.768 N/A GLU 178.A N CYS 195.A O no hydrogen 2.967 N/A VAL 179.A N GLY 172.A O no hydrogen 2.849 N/A TYR 180.A N MET 193.A O no hydrogen 2.864 N/A GLY 181.A N ARG 169.A O no hydrogen 3.326 N/A CYS 182.A N TYR 191.A O no hydrogen 2.933 N/A CYS 182.A SG TYR 191.A O no hydrogen 3.553 N/A ARG 183.A N SER 166.A O no hydrogen 3.035 N/A ARG 183.A NH1 GLY 188.A O no hydrogen 2.741 N/A LYS 184.A N LYS 189.A O no hydrogen 2.946 N/A LYS 184.A NZ TYR 233.A OH no hydrogen 2.826 N/A LYS 184.A NZ GLU 477.A OE2 no hydrogen 2.796 N/A ALA 185.A N ASP 164.A O no hydrogen 3.117 N/A THR 187.A OG1 GLU 477.A OE2 no hydrogen 2.564 N/A GLY 188.A N LYS 184.A O no hydrogen 2.699 N/A LYS 189.A N THR 187.A OG1 no hydrogen 3.365 N/A LYS 189.A NZ GLU 480.A OE1 no hydrogen 3.060 N/A TYR 191.A N CYS 182.A O no hydrogen 2.725 N/A TYR 191.A OH GLU 477.A OE1 no hydrogen 2.611 N/A ALA 192.A N LEU 245.A O no hydrogen 2.815 N/A MET 193.A N TYR 180.A O no hydrogen 2.746 N/A LYS 194.A N PHE 243.A O no hydrogen 2.895 N/A LYS 194.A NZ GLU 213.A OE1 no hydrogen 2.823 N/A LYS 194.A NZ ASP 309.A OD2 no hydrogen 3.497 N/A CYS 195.A N GLU 178.A O no hydrogen 2.835 N/A CYS 195.A SG SER 242.A OG no hydrogen 3.760 N/A LEU 196.A N LEU 241.A O no hydrogen 2.983 N/A ASP 197.A N PHE 176.A O no hydrogen 2.701 N/A LYS 198.A N ASP 239.A O no hydrogen 2.954 N/A LYS 198.A NZ THR 237.A O no hydrogen 2.765 N/A LYS 198.A NZ PRO 238.A O no hydrogen 3.519 N/A LYS 198.A NZ GLN 460.A OE1 no hydrogen 3.074 N/A ARG 200.A N ASP 197.A OD2 no hydrogen 3.060 N/A ILE 201.A N ASP 197.A O no hydrogen 3.069 N/A LYS 202.A N LYS 198.A O no hydrogen 2.994 N/A LYS 202.A NZ LYS 454.A O no hydrogen 3.098 N/A LYS 202.A NZ ASP 459.A OD2 no hydrogen 2.805 N/A MET 203.A N LYS 199.A O no hydrogen 3.249 N/A LYS 204.A N ARG 200.A O no hydrogen 3.085 N/A GLN 205.A N LYS 202.A O no hydrogen 3.401 N/A GLY 206.A N ILE 201.A O no hydrogen 2.872 N/A GLU 207.A N GLU 207.A OE2 no hydrogen 2.928 N/A ALA 210.A N GLY 206.A O no hydrogen 3.328 N/A LEU 211.A N GLU 207.A O no hydrogen 3.026 N/A ASN 212.A N THR 208.A O no hydrogen 2.789 N/A ASN 212.A ND2 GLY 311.A O no hydrogen 2.734 N/A ASN 212.A ND2 ALA 313.A O no hydrogen 2.901 N/A GLU 213.A N LEU 209.A O no hydrogen 3.238 N/A ARG 214.A N ALA 210.A O no hydrogen 3.446 N/A ARG 214.A NE PHE 466.A O no hydrogen 2.698 N/A ARG 214.A NH1 ARG 214.A O no hydrogen 2.961 N/A ARG 214.A NH2 PHE 466.A O no hydrogen 3.551 N/A ILE 215.A N LEU 211.A O no hydrogen 3.028 N/A MET 216.A N ASN 212.A O no hydrogen 2.754 N/A LEU 217.A N GLU 213.A O no hydrogen 2.865 N/A SER 218.A N ARG 214.A O no hydrogen 3.386 N/A SER 218.A OG ARG 214.A O no hydrogen 2.730 N/A SER 218.A OG ILE 215.A O no hydrogen 2.972 N/A LEU 219.A N ILE 215.A O no hydrogen 3.355 N/A VAL 220.A N MET 216.A O no hydrogen 3.284 N/A SER 221.A N LEU 217.A O no hydrogen 3.016 N/A SER 221.A OG LEU 217.A O no hydrogen 2.564 N/A GLY 223.A N GLU 472.A OE1 no hydrogen 3.387 N/A VAL 229.A N ILE 307.A O no hydrogen 2.841 N/A CYS 230.A N ASP 246.A OD2 no hydrogen 2.993 N/A CYS 230.A SG VAL 220.A O no hydrogen 4.045 N/A CYS 230.A SG ILE 228.A O no hydrogen 3.577 N/A MET 231.A N SER 221.A OG no hydrogen 2.875 N/A SER 232.A N ILE 244.A O no hydrogen 2.928 N/A TYR 233.A OH GLU 477.A OE1 no hydrogen 2.520 N/A ALA 234.A N LEU 468.A O no hydrogen 2.857 N/A PHE 235.A N SER 242.A O no hydrogen 2.902 N/A THR 237.A N LYS 240.A O no hydrogen 2.814 N/A THR 237.A OG1 ASP 239.A OD1 no hydrogen 3.027 N/A THR 237.A OG1 LYS 240.A O no hydrogen 3.380 N/A LYS 240.A N THR 237.A OG1 no hydrogen 3.059 N/A LYS 240.A NZ ASP 197.A OD1 no hydrogen 2.965 N/A LEU 241.A N LEU 196.A O no hydrogen 2.947 N/A SER 242.A N PHE 235.A O no hydrogen 2.697 N/A PHE 243.A N LYS 194.A O no hydrogen 3.059 N/A ILE 244.A N TYR 233.A O no hydrogen 2.905 N/A LEU 245.A N ALA 192.A O no hydrogen 2.723 N/A ASP 246.A N CYS 230.A O no hydrogen 3.152 N/A GLY 250.A N LEU 299.A O no hydrogen 2.852 N/A LEU 253.A N ILE 297.A O no hydrogen 2.911 N/A TYR 255.A N ASP 252.A OD1 no hydrogen 3.073 N/A HIS 256.A N ASP 252.A O no hydrogen 3.203 N/A HIS 256.A NE2 GLY 250.A O no hydrogen 2.560 N/A LEU 257.A N LEU 253.A O no hydrogen 2.952 N/A SER 258.A N HIS 254.A O no hydrogen 2.992 N/A GLN 259.A N TYR 255.A O no hydrogen 3.105 N/A GLN 259.A N HIS 256.A O no hydrogen 3.198 N/A HIS 260.A N HIS 256.A O no hydrogen 2.700 N/A HIS 260.A ND1 GLY 261.A O no hydrogen 3.144 N/A GLY 261.A N LEU 257.A O no hydrogen 2.856 N/A PHE 263.A N LEU 358.A O no hydrogen 2.878 N/A ASP 267.A N SER 264.A OG no hydrogen 3.335 N/A MET 268.A N SER 264.A O no hydrogen 2.933 N/A ARG 269.A N GLU 265.A O no hydrogen 2.770 N/A ARG 269.A NE PHE 426.A O no hydrogen 2.928 N/A ARG 269.A NH2 PHE 426.A O no hydrogen 2.981 N/A ALA 272.A N MET 268.A O no hydrogen 2.815 N/A ALA 273.A N ARG 269.A O no hydrogen 3.016 N/A GLU 274.A N PHE 270.A O no hydrogen 3.412 N/A ILE 275.A N TYR 271.A O no hydrogen 2.987 N/A ILE 276.A N ALA 272.A O no hydrogen 2.894 N/A LEU 277.A N ALA 273.A O no hydrogen 3.331 N/A GLY 278.A N GLU 274.A O no hydrogen 3.293 N/A LEU 279.A N ILE 275.A O no hydrogen 3.039 N/A GLU 280.A N ILE 276.A O no hydrogen 2.904 N/A HIS 281.A N LEU 277.A O no hydrogen 3.141 N/A HIS 281.A NE2 VAL 220.A O no hydrogen 2.931 N/A MET 282.A N GLY 278.A O no hydrogen 3.160 N/A HIS 283.A N LEU 279.A O no hydrogen 2.758 N/A HIS 283.A NE2 ASP 347.A OD2 no hydrogen 2.918 N/A ASN 284.A N GLU 280.A O no hydrogen 2.955 N/A ARG 285.A N MET 282.A O no hydrogen 2.991 N/A ARG 285.A NE THR 222.A OG1 no hydrogen 3.390 N/A PHE 286.A N HIS 283.A O no hydrogen 3.048 N/A VAL 287.A N MET 282.A O no hydrogen 3.003 N/A VAL 288.A N CYS 314.A O no hydrogen 2.826 N/A TYR 289.A N ASP 347.A OD2 no hydrogen 2.789 N/A TYR 289.A OH ASP 309.A O no hydrogen 2.770 N/A ARG 290.A N ASP 347.A OD1 no hydrogen 2.819 N/A ARG 290.A NE LEU 312.A O no hydrogen 2.760 N/A ARG 290.A NH1 TYR 342.A OH no hydrogen 2.846 N/A ARG 290.A NH2 LEU 312.A O no hydrogen 2.786 N/A LYS 293.A NZ THR 327.A OG1 no hydrogen 3.069 N/A ASN 296.A N LYS 293.A O no hydrogen 2.949 N/A ASN 296.A ND2 ASP 291.A O no hydrogen 2.693 N/A ASN 296.A ND2 ASP 291.A OD2 no hydrogen 3.023 N/A ILE 297.A N PRO 294.A O no hydrogen 2.936 N/A LEU 298.A N ARG 306.A O no hydrogen 2.890 N/A LEU 299.A N GLY 251.A O no hydrogen 3.035 N/A ASP 300.A N HIS 304.A O no hydrogen 2.832 N/A GLY 303.A N ASP 300.A O no hydrogen 3.143 N/A HIS 304.A ND1 GLU 274.A OE2 no hydrogen 2.879 N/A VAL 305.A N GLU 274.A OE1 no hydrogen 3.053 N/A ARG 306.A N LEU 298.A O no hydrogen 3.018 N/A ARG 306.A NH1 CYS 225.A O no hydrogen 2.792 N/A ARG 306.A NH1 ILE 228.A O no hydrogen 2.930 N/A ILE 307.A N PHE 227.A O no hydrogen 2.924 N/A SER 308.A N ASN 296.A O no hydrogen 2.939 N/A GLY 311.A N ASP 309.A OD1 no hydrogen 3.017 N/A ALA 313.A N LEU 310.A O no hydrogen 3.090 N/A CYS 314.A N VAL 288.A O no hydrogen 2.926 N/A CYS 314.A SG ASP 315.A O no hydrogen 3.796 N/A PHE 316.A N PHE 286.A O no hydrogen 2.905 N/A SER 317.A N ASP 315.A OD1 no hydrogen 2.983 N/A SER 317.A OG ASP 315.A OD1 no hydrogen 3.064 N/A THR 327.A OG1 ASP 291.A OD1 no hydrogen 2.642 N/A HIS 328.A ND1 ASP 377.A OD1 no hydrogen 2.833 N/A TYR 330.A N THR 327.A O no hydrogen 3.018 N/A GLU 334.A N GLU 334.A OE1 no hydrogen 2.802 N/A VAL 335.A N ALA 332.A O no hydrogen 3.189 N/A LEU 336.A N ALA 332.A O no hydrogen 3.028 N/A GLN 337.A N PRO 333.A O no hydrogen 3.150 N/A VAL 340.A N GLN 337.A O no hydrogen 3.445 N/A TYR 342.A N PRO 321.A O no hydrogen 2.913 N/A TYR 342.A OH ALA 323.A O no hydrogen 2.680 N/A SER 345.A N ASP 343.A OD1 no hydrogen 3.460 N/A SER 345.A OG GLU 334.A OE2 no hydrogen 2.763 N/A SER 345.A OG ASP 343.A OD1 no hydrogen 3.273 N/A ASP 347.A N SER 344.A O no hydrogen 3.038 N/A SER 350.A N ALA 346.A O no hydrogen 3.099 N/A SER 350.A OG TYR 330.A O no hydrogen 2.695 N/A SER 350.A OG ALA 346.A O no hydrogen 3.226 N/A LEU 351.A N ASP 347.A O no hydrogen 2.863 N/A GLY 352.A N TRP 348.A O no hydrogen 3.217 N/A CYS 353.A N PHE 349.A O no hydrogen 3.034 N/A CYS 353.A SG GLY 329.A O no hydrogen 3.475 N/A CYS 353.A SG PHE 349.A O no hydrogen 3.320 N/A MET 354.A N SER 350.A O no hydrogen 2.921 N/A LEU 355.A N LEU 351.A O no hydrogen 2.853 N/A PHE 356.A N GLY 352.A O no hydrogen 3.181 N/A LYS 357.A N CYS 353.A O no hydrogen 3.181 N/A LYS 357.A NZ TYR 330.A OH no hydrogen 3.488 N/A LEU 358.A N MET 354.A O no hydrogen 2.910 N/A LEU 359.A N LEU 355.A O no hydrogen 3.339 N/A LEU 359.A N PHE 356.A O no hydrogen 3.152 N/A ARG 360.A N PHE 356.A O no hydrogen 2.939 N/A GLY 361.A N LYS 357.A O no hydrogen 2.800 N/A HIS 362.A ND1 SER 363.A O no hydrogen 2.963 N/A SER 363.A OG GLY 329.A O no hydrogen 2.646 N/A PHE 365.A N SER 363.A OG no hydrogen 3.389 N/A ARG 366.A N SER 363.A O no hydrogen 2.949 N/A THR 370.A N GLN 367.A O no hydrogen 3.144 N/A ASP 372.A N THR 370.A OG1 no hydrogen 3.291 N/A HIS 374.A N ASP 372.A OD1 no hydrogen 3.163 N/A GLU 375.A N ASP 372.A OD1 no hydrogen 3.445 N/A ILE 376.A N ASP 372.A O no hydrogen 3.231 N/A ASP 377.A N LYS 373.A O no hydrogen 3.101 N/A ARG 378.A N HIS 374.A O no hydrogen 3.158 N/A MET 379.A N GLU 375.A O no hydrogen 2.872 N/A THR 380.A N ILE 376.A O no hydrogen 3.154 N/A THR 380.A OG1 ILE 376.A O no hydrogen 2.783 N/A LEU 381.A N ASP 377.A O no hydrogen 3.390 N/A THR 382.A N ARG 378.A O no hydrogen 3.281 N/A THR 382.A N MET 379.A O no hydrogen 3.217 N/A THR 382.A OG1 ARG 378.A O no hydrogen 2.882 N/A MET 383.A N MET 379.A O no hydrogen 2.703 N/A SER 392.A N GLU 265.A OE1 no hydrogen 2.942 N/A SER 392.A OG GLU 265.A OE1 no hydrogen 3.325 N/A SER 392.A OG GLU 265.A OE2 no hydrogen 2.666 N/A SER 392.A OG GLU 394.A OE1 no hydrogen 3.330 N/A LEU 395.A N SER 392.A OG no hydrogen 3.176 N/A ARG 396.A N SER 392.A O no hydrogen 2.927 N/A ARG 396.A NH1 PRO 388.A O no hydrogen 3.342 N/A SER 397.A N PRO 393.A O no hydrogen 2.936 N/A LEU 398.A N GLU 394.A O no hydrogen 3.081 N/A LEU 399.A N LEU 395.A O no hydrogen 2.867 N/A GLU 400.A N ARG 396.A O no hydrogen 2.919 N/A GLY 401.A N SER 397.A O no hydrogen 2.940 N/A LEU 402.A N LEU 398.A O no hydrogen 2.960 N/A LEU 403.A N LEU 399.A O no hydrogen 3.004 N/A GLN 404.A N GLY 401.A O no hydrogen 3.514 N/A ARG 409.A N ASP 406.A O no hydrogen 3.320 N/A ARG 410.A N VAL 407.A O no hydrogen 3.019 N/A ARG 410.A NE GLN 404.A O no hydrogen 2.721 N/A ARG 410.A NH1 GLU 334.A OE2 no hydrogen 2.774 N/A ARG 410.A NH1 SER 345.A O no hydrogen 2.670 N/A ARG 410.A NH2 GLU 334.A OE1 no hydrogen 2.784 N/A ARG 410.A NH2 GLN 404.A O no hydrogen 3.101 N/A ARG 410.A NH2 ARG 405.A O no hydrogen 3.239 N/A LEU 411.A N GLY 401.A O no hydrogen 3.109 N/A CYS 413.A N ARG 410.A O no hydrogen 3.109 N/A CYS 413.A SG LEU 411.A O no hydrogen 4.043 N/A LEU 414.A N GLU 420.A OE1 no hydrogen 3.029 N/A ARG 416.A N GLU 420.A OE2 no hydrogen 2.827 N/A ARG 416.A NH2 GLU 423.A OE2 no hydrogen 3.166 N/A GLN 419.A NE2 GLU 423.A OE1 no hydrogen 3.201 N/A GLU 420.A N GLY 417.A O no hydrogen 3.030 N/A VAL 421.A N ALA 418.A O no hydrogen 3.048 N/A LYS 422.A N ALA 418.A O no hydrogen 2.895 N/A LYS 422.A NZ GLU 280.A OE1 no hydrogen 3.179 N/A LYS 422.A NZ GLU 280.A OE2 no hydrogen 3.059 N/A GLU 423.A N GLN 419.A O no hydrogen 3.215 N/A SER 424.A N VAL 421.A O no hydrogen 3.022 N/A PHE 427.A N SER 424.A O no hydrogen 2.876 N/A ARG 428.A N PRO 425.A O no hydrogen 3.148 N/A LEU 430.A N PHE 427.A O no hydrogen 3.032 N/A ASP 431.A N TYR 440.A OH no hydrogen 2.869 N/A TRP 432.A NE1 LYS 422.A O no hydrogen 3.144 N/A GLN 433.A N ASP 431.A OD1 no hydrogen 3.206 N/A MET 434.A N ASP 431.A O no hydrogen 3.135 N/A VAL 435.A N ASP 431.A O no hydrogen 3.256 N/A PHE 436.A N TRP 432.A O no hydrogen 3.167 N/A LEU 437.A N GLN 433.A O no hydrogen 3.019 N/A GLN 438.A N VAL 435.A O no hydrogen 2.874 N/A LYS 439.A N MET 434.A O no hydrogen 3.153 N/A LYS 439.A NZ GLU 70.A OE2 no hydrogen 2.941 N/A ASP 459.A N LEU 456.A O no hydrogen 3.135 N/A GLN 460.A N LEU 456.A O no hydrogen 3.043 N/A GLN 460.A NE2 PRO 238.A O no hydrogen 2.930 N/A GLU 461.A N ASP 457.A O no hydrogen 3.111 N/A LEU 462.A N ASP 459.A O no hydrogen 3.063 N/A TYR 463.A N GLN 460.A O no hydrogen 3.099 N/A ARG 464.A N GLU 461.A O no hydrogen 3.385 N/A LEU 468.A N ALA 234.A O no hydrogen 2.932 N/A ILE 470.A N SER 232.A O no hydrogen 3.120 N/A SER 471.A OG GLU 155.A OE2 no hydrogen 2.541 N/A ARG 473.A NE SER 221.A O no hydrogen 3.072 N/A ARG 473.A NH2 SER 221.A O no hydrogen 3.182 N/A TRP 474.A N ILE 470.A O no hydrogen 3.146 N/A GLN 475.A N SER 471.A O no hydrogen 2.949 N/A GLN 475.A NE2 GLN 35.A OE1 no hydrogen 3.072 N/A GLN 475.A NE2 GLU 155.A OE1 no hydrogen 3.163 N/A GLN 476.A N GLU 472.A O no hydrogen 2.948 N/A GLN 476.A NE2 GLU 480.A OE2 no hydrogen 3.012 N/A GLU 477.A N ARG 473.A O no hydrogen 2.985 N/A VAL 478.A N TRP 474.A O no hydrogen 2.905 N/A ALA 479.A N GLN 475.A O no hydrogen 2.821 N/A GLU 480.A N GLN 476.A O no hydrogen 3.167 N/A THR 481.A N VAL 478.A O no hydrogen 3.225 N/A THR 481.A OG1 GLU 477.A O no hydrogen 2.673 N/A THR 481.A OG1 VAL 478.A O no hydrogen 3.392 N/A VAL 482.A N VAL 478.A O no hydrogen 3.190 N/A PHE 483.A N VAL 478.A O no hydrogen 3.070 N/A THR 485.A OG1 VAL 482.A O no hydrogen 3.045 N/A ILE 486.A N VAL 482.A O no hydrogen 2.946 N/A ASN 487.A N PHE 483.A O no hydrogen 3.064 N/A ALA 488.A N ASP 484.A O no hydrogen 3.254 N/A GLU 489.A N THR 485.A O no hydrogen 2.965 N/A THR 490.A N ILE 486.A O no hydrogen 3.042 N/A THR 490.A OG1 ILE 486.A O no hydrogen 2.683 N/A ASP 491.A N ASN 487.A O no hydrogen 3.060 N/A ARG 492.A N ALA 488.A O no hydrogen 3.139 N/A LEU 493.A N GLU 489.A O no hydrogen 3.029 N/A GLU 494.A N THR 490.A O no hydrogen 3.052 N/A ALA 495.A N ASP 491.A O no hydrogen 3.135 N/A ARG 496.A N ARG 492.A O no hydrogen 3.033 N/A LYS 497.A N LEU 493.A O no hydrogen 3.105 N/A LYS 497.A NZ GLU 10.A OE1 no hydrogen 2.785 N/A LYS 498.A N GLU 494.A O no hydrogen 2.931 N/A ALA 499.A N ALA 495.A O no hydrogen 2.871 N/A LYS 500.A N ARG 496.A O no hydrogen 2.835 N/A ASN 501.A N LYS 497.A O no hydrogen 2.943 N/A LYS 502.A N LYS 498.A O no hydrogen 3.187 N/A GLN 503.A N ALA 499.A O no hydrogen 3.293 N/A LEU 504.A N LYS 500.A O no hydrogen 2.949 N/A GLY 505.A N ASN 501.A O no hydrogen 3.191 N/A GLU 507.A N GLY 505.A O no hydrogen 2.928 N/A TYR 510.A OH GLU 542.A OE1 no hydrogen 2.489 N/A ALA 511.A N ASP 509.A OD1 no hydrogen 3.149 N/A LEU 512.A N ASP 509.A O no hydrogen 3.284 N/A LYS 514.A NZ TYR 510.A O no hydrogen 2.914 N/A CYS 516.A SG MET 518.A O no hydrogen 3.632 N/A CYS 516.A SG LEU 536.A O no hydrogen 3.524 N/A ILE 517.A N LEU 536.A O no hydrogen 2.877 N/A HIS 519.A N SER 15.A OG no hydrogen 3.001 N/A HIS 519.A ND1 TYR 533.A OH no hydrogen 2.757 N/A GLY 520.A N PHE 534.A O no hydrogen 2.912 N/A TYR 521.A OH GLU 546.A OE2 no hydrogen 3.073 N/A MET 522.A N ARG 532.A O no hydrogen 3.048 N/A SER 523.A N GLN 586.A O no hydrogen 2.763 N/A LYS 524.A N GLN 530.A O no hydrogen 2.912 N/A GLN 530.A N LYS 524.A O no hydrogen 2.950 N/A ARG 531.A NE ASP 588.A OD2 no hydrogen 3.245 N/A ARG 531.A NH2 ASP 588.A OD2 no hydrogen 3.137 N/A ARG 532.A N MET 522.A O no hydrogen 2.937 N/A ARG 532.A NH1 ARG 531.A O no hydrogen 3.219 N/A TYR 533.A N ARG 544.A O no hydrogen 3.006 N/A TYR 533.A OH HIS 519.A ND1 no hydrogen 2.757 N/A PHE 534.A N GLY 520.A O no hydrogen 2.766 N/A TYR 535.A N GLU 542.A O no hydrogen 2.992 N/A LEU 536.A N MET 518.A O no hydrogen 2.758 N/A PHE 537.A N ARG 540.A O no hydrogen 2.860 N/A ARG 540.A N PHE 537.A O no hydrogen 3.417 N/A ARG 540.A NE GLU 542.A OE2 no hydrogen 2.583 N/A ARG 540.A NH1 ASN 539.A OD1 no hydrogen 2.839 N/A ARG 540.A NH2 GLU 542.A OE2 no hydrogen 3.172 N/A LEU 541.A N LEU 554.A O no hydrogen 2.695 N/A GLU 542.A N TYR 535.A O no hydrogen 2.898 N/A TRP 543.A N SER 552.A O no hydrogen 3.418 N/A ARG 544.A N TYR 533.A O no hydrogen 2.907 N/A ARG 544.A NE TYR 535.A OH no hydrogen 2.727 N/A ARG 544.A NH1 GLY 545.A O no hydrogen 3.474 N/A ARG 544.A NH2 TYR 535.A OH no hydrogen 3.171 N/A GLY 545.A N GLU 548.A OE2 no hydrogen 3.163 N/A GLN 551.A NE2 ALA 549.A O no hydrogen 2.610 N/A SER 552.A OG GLN 551.A O no hydrogen 2.832 N/A LEU 554.A N LEU 541.A O no hydrogen 2.924 N/A THR 555.A N GLU 558.A OE1 no hydrogen 3.460 N/A MET 556.A N ASN 539.A O no hydrogen 3.093 N/A GLU 558.A N THR 555.A OG1 no hydrogen 3.392 N/A GLN 560.A N LYS 576.A O no hydrogen 2.790 N/A GLU 563.A N LEU 574.A O no hydrogen 3.016 N/A THR 565.A N CYS 572.A O no hydrogen 2.777 N/A ILE 567.A N ARG 570.A O no hydrogen 3.466 N/A ARG 570.A NH1 CYS 587.A O no hydrogen 3.086 N/A CYS 572.A N THR 565.A O no hydrogen 2.698 N/A LEU 573.A N LEU 585.A O no hydrogen 2.760 N/A LEU 574.A N GLU 563.A O no hydrogen 2.640 N/A LEU 575.A N PHE 583.A O no hydrogen 2.894 N/A LYS 576.A N SER 561.A O no hydrogen 3.196 N/A ILE 577.A N LYS 581.A O no hydrogen 2.926 N/A ARG 578.A N GLU 558.A O no hydrogen 2.691 N/A LYS 581.A N ILE 577.A O no hydrogen 3.463 N/A PHE 583.A N LEU 575.A O no hydrogen 3.076 N/A LEU 585.A N LEU 573.A O no hydrogen 2.921 N/A GLN 586.A N SER 523.A O no hydrogen 2.764 N/A SER 589.A OG GLU 592.A OE1 no hydrogen 2.629 N/A ASP 590.A N ASN 157.A OD1 no hydrogen 3.233 N/A LEU 593.A N SER 589.A O no hydrogen 3.051 N/A VAL 594.A N ASP 590.A O no hydrogen 2.980 N/A GLN 595.A N PRO 591.A O no hydrogen 2.936 N/A GLN 595.A NE2 ASP 23.A OD2 no hydrogen 3.054 N/A GLN 595.A NE2 GLU 599.A OE2 no hydrogen 2.887 N/A TRP 596.A N GLU 592.A O no hydrogen 2.916 N/A LYS 597.A N LEU 593.A O no hydrogen 3.000 N/A LYS 598.A N VAL 594.A O no hydrogen 3.104 N/A LYS 598.A NZ ASP 23.A OD2 no hydrogen 3.499 N/A GLU 599.A N GLN 595.A O no hydrogen 2.770 N/A LEU 600.A N TRP 596.A O no hydrogen 2.976 N/A ARG 601.A N LYS 597.A O no hydrogen 3.321 N/A ARG 601.A NE VAL 562.A O no hydrogen 2.944 N/A ARG 601.A NH2 VAL 562.A O no hydrogen 2.753 N/A ASP 602.A N LYS 598.A O no hydrogen 2.977 N/A ALA 603.A N GLU 599.A O no hydrogen 2.828 N/A TYR 604.A N LEU 600.A O no hydrogen 2.920 N/A ARG 605.A N ARG 601.A O no hydrogen 3.166 N/A ARG 605.A NE TYR 604.A OH no hydrogen 3.365 N/A ARG 605.A NH2 TYR 604.A OH no hydrogen 3.569 N/A GLU 606.A N ASP 602.A O no hydrogen 3.099 N/A ALA 607.A N ALA 603.A O no hydrogen 3.042 N/A GLN 608.A N TYR 604.A O no hydrogen 3.039 N/A GLN 608.A NE2 MET 556.A O no hydrogen 2.752 N/A GLN 608.A NE2 ILE 559.A O no hydrogen 2.747 N/A GLN 609.A N ARG 605.A O no hydrogen 3.169 N/A LEU 610.A N GLU 606.A O no hydrogen 3.043 N/A VAL 611.A N ALA 607.A O no hydrogen 2.914 N/A GLN 612.A N GLN 608.A O no hydrogen 3.462 N/A ARG 613.A N LEU 610.A O no hydrogen 3.299 N/A VAL 614.A N VAL 611.A O no hydrogen 2.849 N/A MET 617.A N VAL 614.A O no hydrogen 3.296 N/A LYS 618.A N VAL 614.A O no hydrogen 3.125 N/A LYS 618.A NZ GLN 612.A O no hydrogen 2.874 N/A LYS 620.A NZ PRO 615.A O no hydrogen 3.208 N/A