Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pnk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 10.A N GLU 7.A O no hydrogen 3.166 N/A ARG 11.A N PRO 8.A O no hydrogen 2.981 N/A ARG 11.A NE GLN 15.A OE1 no hydrogen 3.279 N/A ARG 11.A NH1 ILE 137.A O no hydrogen 3.029 N/A ARG 11.A NH1 SER 139.A O no hydrogen 3.515 N/A ARG 11.A NH1 THR 143.A OG1 no hydrogen 3.091 N/A ARG 11.A NH2 GLN 15.A OE1 no hydrogen 3.546 N/A ARG 11.A NH2 ILE 137.A O no hydrogen 2.827 N/A VAL 13.A N ILE 10.A O no hydrogen 3.352 N/A MET 14.A N ILE 10.A O no hydrogen 3.234 N/A GLN 15.A N ARG 11.A O no hydrogen 2.983 N/A TYR 17.A N VAL 13.A O no hydrogen 2.868 N/A LEU 18.A N MET 14.A O no hydrogen 2.800 N/A GLU 19.A N GLN 15.A O no hydrogen 2.960 N/A ASP 20.A N LYS 16.A O no hydrogen 3.075 N/A ASP 20.A N TYR 17.A O no hydrogen 3.367 N/A ARG 21.A N LEU 18.A O no hydrogen 2.644 N/A ARG 21.A NH1 TYR 17.A O no hydrogen 3.035 N/A GLU 23.A N LEU 18.A O no hydrogen 3.205 N/A LYS 28.A N THR 25.A OG1 no hydrogen 3.147 N/A ILE 29.A N THR 25.A O no hydrogen 3.035 N/A PHE 30.A N PHE 26.A O no hydrogen 2.719 N/A SER 31.A N GLU 27.A O no hydrogen 3.245 N/A SER 31.A OG GLU 27.A O no hydrogen 3.128 N/A SER 31.A OG LYS 28.A O no hydrogen 3.526 N/A GLN 32.A N ILE 29.A O no hydrogen 3.106 N/A GLN 32.A NE2 LYS 28.A O no hydrogen 3.114 N/A LEU 34.A N GLN 475.A OE1 no hydrogen 2.788 N/A TYR 36.A N GLN 32.A O no hydrogen 2.666 N/A TYR 36.A OH GLU 58.A OE1 no hydrogen 3.064 N/A LEU 37.A N LYS 33.A O no hydrogen 2.808 N/A LEU 38.A N LEU 34.A O no hydrogen 2.835 N/A PHE 39.A N GLY 35.A O no hydrogen 2.759 N/A ARG 40.A N TYR 36.A O no hydrogen 3.098 N/A ARG 40.A NE GLU 58.A OE1 no hydrogen 2.716 N/A ASP 41.A N LEU 37.A O no hydrogen 2.954 N/A PHE 42.A N LEU 38.A O no hydrogen 3.040 N/A CYS 43.A N PHE 39.A O no hydrogen 2.892 N/A CYS 43.A SG PHE 39.A O no hydrogen 3.260 N/A LEU 44.A N ARG 40.A O no hydrogen 2.986 N/A ASN 45.A N ASP 41.A O no hydrogen 3.146 N/A HIS 46.A N PHE 42.A O no hydrogen 2.909 N/A ALA 50.A N LEU 47.A O no hydrogen 3.335 N/A ARG 51.A N LEU 47.A O no hydrogen 3.289 N/A VAL 54.A N ARG 51.A O no hydrogen 2.945 N/A GLU 55.A N ARG 51.A O no hydrogen 3.063 N/A PHE 56.A N PRO 52.A O no hydrogen 2.927 N/A TYR 57.A N LEU 53.A O no hydrogen 3.362 N/A GLU 58.A N VAL 54.A O no hydrogen 2.812 N/A GLU 59.A N GLU 55.A O no hydrogen 2.815 N/A ILE 60.A N PHE 56.A O no hydrogen 3.078 N/A LYS 61.A N TYR 57.A O no hydrogen 3.029 N/A LYS 61.A NZ GLU 64.A OE1 no hydrogen 3.378 N/A LYS 62.A N GLU 58.A O no hydrogen 2.984 N/A LYS 62.A NZ GLU 59.A OE2 no hydrogen 2.943 N/A TYR 63.A N GLU 59.A O no hydrogen 2.934 N/A TYR 63.A OH PRO 113.A O no hydrogen 2.309 N/A GLU 64.A N ILE 60.A O no hydrogen 2.781 N/A GLU 64.A N LYS 61.A O no hydrogen 3.018 N/A LYS 65.A N LYS 61.A O no hydrogen 3.300 N/A LEU 66.A N TYR 63.A O no hydrogen 3.468 N/A GLU 71.A N THR 68.A OG1 no hydrogen 2.696 N/A ARG 72.A NH2 LEU 66.A O no hydrogen 2.726 N/A VAL 73.A N GLU 69.A O no hydrogen 2.735 N/A ARG 75.A N GLU 71.A O no hydrogen 3.379 N/A ARG 75.A NH1 GLU 59.A OE1 no hydrogen 3.468 N/A SER 76.A N ARG 72.A O no hydrogen 3.111 N/A SER 76.A OG ARG 72.A O no hydrogen 2.700 N/A SER 76.A OG VAL 73.A O no hydrogen 3.191 N/A ARG 77.A N ALA 74.A O no hydrogen 2.882 N/A GLU 78.A N ALA 74.A O no hydrogen 3.448 N/A ILE 79.A N ARG 75.A O no hydrogen 2.724 N/A ASP 81.A N ARG 77.A O no hydrogen 2.921 N/A SER 82.A N GLU 78.A O no hydrogen 2.798 N/A TYR 83.A N ILE 79.A O no hydrogen 2.976 N/A TYR 83.A OH GLU 55.A OE2 no hydrogen 3.034 N/A MET 85.A N PHE 80.A O no hydrogen 3.155 N/A LYS 86.A N ASP 81.A O no hydrogen 3.063 N/A LEU 88.A N ILE 84.A O no hydrogen 2.717 N/A LEU 89.A N MET 85.A O no hydrogen 3.301 N/A ALA 90.A N GLU 87.A O no hydrogen 2.655 N/A CYS 91.A N LEU 88.A O no hydrogen 3.142 N/A SER 92.A N GLU 87.A O no hydrogen 3.517 N/A SER 92.A OG GLU 87.A O no hydrogen 3.517 N/A SER 92.A OG GLU 87.A OE1 no hydrogen 3.560 N/A HIS 93.A NE2 TYR 120.A OH no hydrogen 2.746 N/A SER 96.A N GLU 123.A OE1 no hydrogen 2.863 N/A SER 96.A OG GLU 123.A OE1 no hydrogen 3.129 N/A SER 96.A OG GLU 123.A OE2 no hydrogen 2.938 N/A ALA 99.A N SER 98.A OG no hydrogen 2.697 N/A GLU 101.A N LYS 97.A O no hydrogen 3.519 N/A HIS 102.A N SER 98.A O no hydrogen 2.766 N/A HIS 102.A NE2 LEU 116.A O no hydrogen 3.127 N/A VAL 103.A N ALA 99.A O no hydrogen 3.186 N/A VAL 103.A N THR 100.A O no hydrogen 3.211 N/A GLN 104.A N THR 100.A O no hydrogen 3.403 N/A GLY 105.A N GLU 101.A O no hydrogen 3.086 N/A LEU 107.A N VAL 103.A O no hydrogen 3.202 N/A GLY 108.A N GLN 104.A O no hydrogen 3.317 N/A LYS 110.A N LEU 107.A O no hydrogen 2.692 N/A GLN 111.A N HIS 106.A O no hydrogen 3.105 N/A GLN 118.A N ASP 115.A O no hydrogen 2.570 N/A TYR 120.A N PHE 117.A O no hydrogen 3.016 N/A TYR 120.A OH HIS 93.A NE2 no hydrogen 2.746 N/A ILE 121.A N PHE 117.A O no hydrogen 2.898 N/A GLU 122.A N GLN 118.A O no hydrogen 3.250 N/A GLU 123.A N TYR 120.A O no hydrogen 2.738 N/A ILE 124.A N TYR 120.A O no hydrogen 2.789 N/A CYS 125.A N ILE 121.A O no hydrogen 2.994 N/A GLN 126.A N GLU 122.A O no hydrogen 2.838 N/A ASN 127.A N GLU 123.A O no hydrogen 2.765 N/A ASN 127.A ND2 PRO 94.A O no hydrogen 2.875 N/A ASN 127.A ND2 GLU 123.A O no hydrogen 3.124 N/A LEU 128.A N CYS 125.A O no hydrogen 3.072 N/A ARG 129.A N CYS 125.A O no hydrogen 2.857 N/A ASP 131.A N ARG 129.A O no hydrogen 2.885 N/A PHE 133.A N LEU 128.A O no hydrogen 3.050 N/A GLN 134.A N GLY 130.A O no hydrogen 3.179 N/A LYS 135.A N VAL 132.A O no hydrogen 3.140 N/A PHE 136.A N VAL 132.A O no hydrogen 3.330 N/A PHE 136.A N PHE 133.A O no hydrogen 2.970 N/A ILE 137.A N PHE 133.A O no hydrogen 3.027 N/A GLU 138.A N GLN 134.A O no hydrogen 3.162 N/A SER 139.A N PHE 136.A O no hydrogen 2.966 N/A SER 139.A OG PHE 136.A O no hydrogen 2.378 N/A LYS 141.A N SER 139.A OG no hydrogen 3.340 N/A LYS 141.A NZ ASP 41.A OD1 no hydrogen 2.819 N/A PHE 142.A N SER 139.A O no hydrogen 3.241 N/A ARG 144.A N ASP 140.A O no hydrogen 3.149 N/A ARG 144.A NE GLN 147.A OE1 no hydrogen 3.057 N/A ARG 144.A NH1 ASN 487.A O no hydrogen 3.513 N/A ARG 144.A NH1 ASN 487.A OD1 no hydrogen 3.269 N/A ARG 144.A NH1 ASP 491.A OD1 no hydrogen 2.916 N/A ARG 144.A NH2 ASP 491.A OD1 no hydrogen 2.932 N/A ARG 144.A NH2 GLU 494.A OE1 no hydrogen 3.270 N/A ARG 144.A NH2 GLU 494.A OE2 no hydrogen 3.445 N/A PHE 145.A N LYS 141.A O no hydrogen 2.884 N/A CYS 146.A N PHE 142.A O no hydrogen 2.877 N/A CYS 146.A SG PHE 142.A O no hydrogen 3.320 N/A GLN 147.A N THR 143.A O no hydrogen 3.130 N/A GLN 147.A N ARG 144.A O no hydrogen 3.272 N/A GLN 147.A NE2 PRO 6.A O no hydrogen 2.501 N/A GLN 147.A NE2 GLU 494.A OE2 no hydrogen 3.244 N/A TRP 148.A N ARG 144.A O no hydrogen 3.290 N/A TRP 148.A NE1 ASN 487.A OD1 no hydrogen 2.890 N/A LYS 149.A N PHE 145.A O no hydrogen 2.721 N/A LYS 149.A NZ GLN 32.A OE1 no hydrogen 2.823 N/A LYS 149.A NZ GLU 152.A OE1 no hydrogen 2.834 N/A ASN 150.A N GLN 147.A O no hydrogen 3.162 N/A ASN 150.A ND2 SER 593.A OG no hydrogen 2.939 N/A VAL 151.A N GLN 147.A O no hydrogen 3.330 N/A GLU 152.A N TRP 148.A O no hydrogen 3.014 N/A LEU 153.A N LYS 149.A O no hydrogen 3.087 N/A LEU 153.A N ASN 150.A O no hydrogen 3.142 N/A ASN 154.A N VAL 151.A O no hydrogen 3.271 N/A HIS 156.A NE2 ASP 594.A OD2 no hydrogen 2.725 N/A THR 158.A N ASP 161.A OD2 no hydrogen 2.839 N/A THR 158.A OG1 ASP 161.A OD2 no hydrogen 3.486 N/A ASP 161.A N THR 158.A O no hydrogen 2.866 N/A PHE 162.A N MET 159.A O no hydrogen 2.864 N/A SER 163.A N ARG 180.A O no hydrogen 2.777 N/A HIS 165.A N GLY 178.A O no hydrogen 2.613 N/A ARG 166.A NH1 GLU 446.A OE1 no hydrogen 3.273 N/A ILE 168.A N VAL 176.A O no hydrogen 2.588 N/A GLY 171.A N GLY 174.A O no hydrogen 2.987 N/A GLU 175.A N CYS 192.A O no hydrogen 3.320 N/A VAL 176.A N GLY 169.A O no hydrogen 2.859 N/A TYR 177.A N MET 190.A O no hydrogen 2.780 N/A GLY 178.A N ARG 166.A O no hydrogen 2.989 N/A CYS 179.A N TYR 188.A O no hydrogen 2.834 N/A CYS 179.A SG TYR 188.A O no hydrogen 3.269 N/A ARG 180.A N SER 163.A O no hydrogen 2.602 N/A ARG 180.A NE GLY 185.A O no hydrogen 3.148 N/A ARG 180.A NH2 GLY 185.A O no hydrogen 3.520 N/A LYS 181.A N LYS 186.A O no hydrogen 2.975 N/A LYS 181.A NZ ASP 183.A OD2 no hydrogen 2.808 N/A LYS 181.A NZ GLU 477.A OE2 no hydrogen 2.834 N/A ALA 182.A N ASP 161.A O no hydrogen 3.131 N/A THR 184.A OG1 GLU 477.A OE2 no hydrogen 2.731 N/A LYS 186.A NZ GLU 480.A OE1 no hydrogen 2.874 N/A TYR 188.A N CYS 179.A O no hydrogen 2.885 N/A TYR 188.A OH GLU 477.A OE1 no hydrogen 2.580 N/A ALA 189.A N LEU 242.A O no hydrogen 2.769 N/A MET 190.A N TYR 177.A O no hydrogen 2.757 N/A LYS 191.A N PHE 240.A O no hydrogen 3.082 N/A LYS 191.A NZ GLU 210.A OE1 no hydrogen 2.892 N/A CYS 192.A N GLU 175.A O no hydrogen 2.934 N/A LEU 193.A N LEU 238.A O no hydrogen 3.041 N/A ASP 194.A N PHE 173.A O no hydrogen 2.983 N/A LYS 195.A N ASP 236.A O no hydrogen 2.927 N/A LYS 195.A NZ THR 234.A O no hydrogen 2.784 N/A LYS 195.A NZ GLN 460.A OE1 no hydrogen 2.971 N/A LYS 196.A N ASP 194.A OD1 no hydrogen 3.208 N/A ARG 197.A N ASP 194.A OD2 no hydrogen 3.332 N/A ILE 198.A N ASP 194.A O no hydrogen 2.939 N/A LYS 199.A N LYS 195.A O no hydrogen 3.041 N/A LYS 199.A NZ ASP 459.A OD2 no hydrogen 3.091 N/A MET 200.A N LYS 196.A O no hydrogen 3.153 N/A LYS 201.A N ILE 198.A O no hydrogen 2.799 N/A GLN 202.A N LYS 199.A O no hydrogen 2.553 N/A GLY 203.A N ILE 198.A O no hydrogen 3.296 N/A GLU 204.A N GLU 204.A OE2 no hydrogen 2.917 N/A ALA 207.A N GLY 203.A O no hydrogen 3.379 N/A LEU 208.A N GLU 204.A O no hydrogen 2.970 N/A ASN 209.A N THR 205.A O no hydrogen 2.799 N/A ASN 209.A ND2 GLY 308.A O no hydrogen 3.067 N/A ASN 209.A ND2 ALA 310.A O no hydrogen 2.799 N/A GLU 210.A N LEU 206.A O no hydrogen 3.132 N/A ARG 211.A NE PHE 466.A O no hydrogen 2.830 N/A ARG 211.A NH1 ARG 211.A O no hydrogen 3.234 N/A ARG 211.A NH2 ASN 465.A O no hydrogen 2.888 N/A ILE 212.A N LEU 208.A O no hydrogen 3.112 N/A MET 213.A N ASN 209.A O no hydrogen 2.623 N/A LEU 214.A N GLU 210.A O no hydrogen 2.553 N/A SER 215.A N ARG 211.A O no hydrogen 3.279 N/A SER 215.A OG ARG 211.A O no hydrogen 2.839 N/A SER 215.A OG ILE 212.A O no hydrogen 3.284 N/A LEU 216.A N ILE 212.A O no hydrogen 3.411 N/A VAL 217.A N LEU 214.A O no hydrogen 3.161 N/A SER 218.A N LEU 214.A O no hydrogen 2.809 N/A SER 218.A OG LEU 214.A O no hydrogen 2.644 N/A SER 218.A OG MET 228.A O no hydrogen 3.533 N/A GLY 220.A N GLU 472.A OE1 no hydrogen 2.957 N/A VAL 226.A N ILE 304.A O no hydrogen 3.029 N/A CYS 227.A N ASP 243.A OD2 no hydrogen 2.882 N/A CYS 227.A SG ILE 225.A O no hydrogen 3.415 N/A MET 228.A N SER 218.A OG no hydrogen 2.920 N/A SER 229.A N ILE 241.A O no hydrogen 2.995 N/A TYR 230.A OH GLU 477.A OE1 no hydrogen 2.480 N/A ALA 231.A N LEU 468.A O no hydrogen 2.906 N/A PHE 232.A N SER 239.A O no hydrogen 3.061 N/A THR 234.A N LYS 237.A O no hydrogen 3.019 N/A ASP 236.A N THR 234.A OG1 no hydrogen 3.371 N/A LYS 237.A N THR 234.A OG1 no hydrogen 3.371 N/A LEU 238.A N LEU 193.A O no hydrogen 3.002 N/A SER 239.A N PHE 232.A O no hydrogen 2.695 N/A PHE 240.A N LYS 191.A O no hydrogen 2.842 N/A ILE 241.A N TYR 230.A O no hydrogen 2.950 N/A LEU 242.A N ALA 189.A O no hydrogen 3.071 N/A ASP 243.A N CYS 227.A O no hydrogen 2.899 N/A LEU 250.A N ILE 294.A O no hydrogen 3.166 N/A TYR 252.A N ASP 249.A OD1 no hydrogen 3.092 N/A HIS 253.A N ASP 249.A O no hydrogen 2.847 N/A HIS 253.A NE2 GLY 247.A O no hydrogen 2.783 N/A LEU 254.A N LEU 250.A O no hydrogen 2.557 N/A SER 255.A N HIS 251.A O no hydrogen 3.279 N/A SER 255.A OG TYR 252.A O no hydrogen 2.995 N/A GLN 256.A N HIS 253.A O no hydrogen 2.799 N/A HIS 257.A N HIS 253.A O no hydrogen 2.588 N/A GLY 258.A N LEU 254.A O no hydrogen 2.695 N/A PHE 260.A N LEU 355.A O no hydrogen 2.829 N/A ASP 264.A N SER 261.A OG no hydrogen 3.160 N/A MET 265.A N SER 261.A O no hydrogen 2.837 N/A ARG 266.A N GLU 262.A O no hydrogen 2.709 N/A ARG 266.A NH1 PHE 423.A O no hydrogen 2.628 N/A PHE 267.A N ALA 263.A O no hydrogen 3.301 N/A ALA 269.A N MET 265.A O no hydrogen 2.902 N/A ALA 270.A N ARG 266.A O no hydrogen 3.054 N/A GLU 271.A N PHE 267.A O no hydrogen 3.403 N/A ILE 272.A N TYR 268.A O no hydrogen 2.825 N/A ILE 273.A N ALA 269.A O no hydrogen 2.757 N/A LEU 274.A N ALA 270.A O no hydrogen 3.310 N/A GLY 275.A N GLU 271.A O no hydrogen 3.076 N/A LEU 276.A N ILE 272.A O no hydrogen 2.883 N/A GLU 277.A N ILE 273.A O no hydrogen 2.762 N/A HIS 278.A N LEU 274.A O no hydrogen 3.081 N/A HIS 278.A NE2 VAL 217.A O no hydrogen 3.217 N/A MET 279.A N GLY 275.A O no hydrogen 3.250 N/A HIS 280.A N LEU 276.A O no hydrogen 2.870 N/A ASN 281.A N GLU 277.A O no hydrogen 2.876 N/A ARG 282.A N MET 279.A O no hydrogen 3.020 N/A ARG 282.A NE LEU 216.A O no hydrogen 3.217 N/A ARG 282.A NH1 HIS 278.A O no hydrogen 3.472 N/A PHE 283.A N HIS 280.A O no hydrogen 3.216 N/A VAL 284.A N MET 279.A O no hydrogen 3.005 N/A VAL 285.A N CYS 311.A O no hydrogen 3.135 N/A TYR 286.A N ASP 344.A OD2 no hydrogen 2.417 N/A TYR 286.A OH SER 305.A O no hydrogen 2.326 N/A TYR 286.A OH ASP 306.A O no hydrogen 3.095 N/A ARG 287.A N ASP 344.A OD1 no hydrogen 2.933 N/A ARG 287.A NE LEU 309.A O no hydrogen 2.723 N/A ARG 287.A NH1 TYR 339.A OH no hydrogen 2.689 N/A ARG 287.A NH2 LEU 309.A O no hydrogen 3.533 N/A ASN 293.A N LYS 290.A O no hydrogen 2.476 N/A ASN 293.A ND2 ASP 288.A O no hydrogen 2.701 N/A ILE 294.A N PRO 291.A O no hydrogen 3.234 N/A LEU 295.A N ARG 303.A O no hydrogen 2.972 N/A LEU 296.A N GLY 248.A O no hydrogen 2.945 N/A ASP 297.A N HIS 301.A O no hydrogen 2.799 N/A HIS 299.A N ASP 297.A OD1 no hydrogen 3.272 N/A GLY 300.A N ASP 297.A O no hydrogen 3.139 N/A GLY 300.A N ASP 297.A OD1 no hydrogen 2.955 N/A HIS 301.A N ASP 297.A OD1 no hydrogen 2.697 N/A HIS 301.A ND1 GLU 271.A OE2 no hydrogen 2.924 N/A VAL 302.A N GLU 271.A OE1 no hydrogen 3.026 N/A ARG 303.A N LEU 295.A O no hydrogen 2.970 N/A ARG 303.A NE ILE 225.A O no hydrogen 3.095 N/A ARG 303.A NH2 CYS 222.A O no hydrogen 3.085 N/A ILE 304.A N PHE 224.A O no hydrogen 2.913 N/A SER 305.A N ASN 293.A O no hydrogen 2.862 N/A GLY 308.A N ASP 306.A OD1 no hydrogen 3.315 N/A ALA 310.A N LEU 307.A O no hydrogen 3.164 N/A CYS 311.A N VAL 285.A O no hydrogen 3.029 N/A PHE 313.A N PHE 283.A O no hydrogen 3.140 N/A SER 314.A N ASP 312.A OD1 no hydrogen 2.951 N/A LYS 317.A NZ PHE 313.A O no hydrogen 3.327 N/A SER 321.A OG LEU 333.A O no hydrogen 3.482 N/A THR 324.A OG1 ASP 288.A OD1 no hydrogen 2.549 N/A TYR 327.A N THR 324.A O no hydrogen 3.332 N/A GLU 331.A N GLU 331.A OE1 no hydrogen 2.713 N/A LEU 333.A N ALA 329.A O no hydrogen 3.337 N/A GLN 334.A N PRO 330.A O no hydrogen 3.060 N/A TYR 339.A OH ALA 320.A O no hydrogen 2.446 N/A SER 341.A OG ASP 340.A OD1 no hydrogen 2.940 N/A SER 342.A N ASP 340.A OD1 no hydrogen 3.257 N/A SER 342.A OG ASP 340.A OD1 no hydrogen 2.877 N/A ASP 344.A N SER 341.A O no hydrogen 2.801 N/A PHE 346.A N SER 342.A O no hydrogen 3.152 N/A SER 347.A N ALA 343.A O no hydrogen 2.677 N/A SER 347.A OG TYR 327.A O no hydrogen 2.207 N/A SER 347.A OG ALA 343.A O no hydrogen 3.503 N/A LEU 348.A N ASP 344.A O no hydrogen 2.680 N/A GLY 349.A N TRP 345.A O no hydrogen 2.899 N/A CYS 350.A N PHE 346.A O no hydrogen 2.709 N/A CYS 350.A SG GLY 326.A O no hydrogen 3.781 N/A CYS 350.A SG PHE 346.A O no hydrogen 3.464 N/A MET 351.A N SER 347.A O no hydrogen 2.723 N/A LEU 352.A N LEU 348.A O no hydrogen 2.832 N/A PHE 353.A N GLY 349.A O no hydrogen 3.318 N/A LYS 354.A N CYS 350.A O no hydrogen 3.217 N/A LEU 355.A N MET 351.A O no hydrogen 3.097 N/A LEU 356.A N LEU 352.A O no hydrogen 3.299 N/A LEU 356.A N PHE 353.A O no hydrogen 2.961 N/A ARG 357.A N PHE 353.A O no hydrogen 3.168 N/A ARG 357.A N LYS 354.A O no hydrogen 3.162 N/A GLY 358.A N LYS 354.A O no hydrogen 2.933 N/A HIS 359.A ND1 SER 360.A O no hydrogen 2.614 N/A ARG 363.A N SER 360.A O no hydrogen 3.346 N/A THR 367.A N GLN 364.A O no hydrogen 3.139 N/A ASP 369.A N THR 367.A OG1 no hydrogen 3.275 N/A HIS 371.A N ASP 369.A OD1 no hydrogen 2.947 N/A MET 376.A N GLU 372.A O no hydrogen 3.283 N/A THR 377.A N ASP 374.A O no hydrogen 3.038 N/A THR 377.A OG1 ILE 373.A O no hydrogen 2.840 N/A LEU 378.A N ARG 375.A O no hydrogen 2.955 N/A PHE 388.A N PRO 385.A O no hydrogen 3.089 N/A SER 389.A N GLU 262.A OE1 no hydrogen 3.262 N/A SER 389.A OG GLU 262.A OE1 no hydrogen 2.947 N/A SER 389.A OG GLU 262.A OE2 no hydrogen 2.177 N/A ARG 393.A N SER 389.A O no hydrogen 2.974 N/A ARG 393.A NH2 PRO 385.A O no hydrogen 2.811 N/A SER 394.A N PRO 390.A O no hydrogen 3.303 N/A SER 394.A OG GLU 391.A O no hydrogen 3.178 N/A LEU 395.A N GLU 391.A O no hydrogen 3.266 N/A LEU 396.A N LEU 392.A O no hydrogen 3.025 N/A GLU 397.A N ARG 393.A O no hydrogen 2.670 N/A GLY 398.A N SER 394.A O no hydrogen 2.932 N/A LEU 399.A N LEU 395.A O no hydrogen 2.921 N/A LEU 399.A N LEU 396.A O no hydrogen 2.875 N/A LEU 400.A N LEU 396.A O no hydrogen 2.928 N/A LEU 400.A N GLU 397.A O no hydrogen 3.194 N/A GLN 401.A NE2 GLU 397.A O no hydrogen 3.198 N/A ARG 407.A NE GLN 401.A O no hydrogen 3.136 N/A ARG 407.A NH1 GLU 331.A OE2 no hydrogen 3.150 N/A ARG 407.A NH1 SER 342.A O no hydrogen 3.326 N/A ARG 407.A NH2 GLU 331.A OE1 no hydrogen 3.149 N/A ARG 407.A NH2 GLN 401.A O no hydrogen 3.289 N/A ARG 407.A NH2 ARG 402.A O no hydrogen 3.501 N/A LEU 408.A N GLY 398.A O no hydrogen 2.579 N/A GLY 409.A N GLU 417.A OE1 no hydrogen 3.142 N/A CYS 410.A N ARG 407.A O no hydrogen 3.374 N/A LEU 411.A N GLU 417.A OE2 no hydrogen 3.244 N/A ARG 413.A N GLU 417.A OE2 no hydrogen 2.945 N/A ARG 413.A NH2 GLU 420.A OE1 no hydrogen 3.051 N/A GLU 417.A N GLY 414.A O no hydrogen 2.806 N/A VAL 418.A N ALA 415.A O no hydrogen 2.694 N/A LYS 419.A N ALA 415.A O no hydrogen 3.014 N/A LYS 419.A NZ GLU 277.A OE2 no hydrogen 2.792 N/A GLU 420.A N GLN 416.A O no hydrogen 2.867 N/A SER 421.A N VAL 418.A O no hydrogen 2.992 N/A PHE 424.A N SER 421.A O no hydrogen 2.835 N/A LEU 427.A N PHE 424.A O no hydrogen 2.826 N/A ASP 428.A N TYR 437.A OH no hydrogen 3.068 N/A MET 431.A N ASP 428.A OD1 no hydrogen 3.284 N/A VAL 432.A N ASP 428.A O no hydrogen 2.966 N/A PHE 433.A N TRP 429.A O no hydrogen 2.941 N/A LEU 434.A N GLN 430.A O no hydrogen 3.067 N/A GLN 435.A N VAL 432.A O no hydrogen 2.784 N/A LYS 436.A N MET 431.A O no hydrogen 3.138 N/A LYS 451.A NZ ASP 194.A OD2 no hydrogen 3.108 N/A ASP 459.A N LEU 456.A O no hydrogen 3.310 N/A GLN 460.A NE2 PRO 235.A O no hydrogen 3.111 N/A LEU 462.A N ASP 459.A O no hydrogen 3.160 N/A TYR 463.A N GLN 460.A O no hydrogen 3.037 N/A ARG 464.A N GLU 461.A O no hydrogen 3.232 N/A PHE 466.A N TYR 463.A O no hydrogen 3.154 N/A LEU 468.A N ALA 231.A O no hydrogen 3.144 N/A ILE 470.A N SER 229.A O no hydrogen 2.991 N/A SER 471.A OG GLU 152.A OE1 no hydrogen 3.496 N/A SER 471.A OG GLU 152.A OE2 no hydrogen 2.494 N/A ARG 473.A N ILE 470.A O no hydrogen 2.734 N/A ARG 473.A NE SER 218.A O no hydrogen 3.199 N/A ARG 473.A NH2 SER 218.A O no hydrogen 3.458 N/A TRP 474.A N ILE 470.A O no hydrogen 3.133 N/A GLN 475.A N SER 471.A O no hydrogen 2.918 N/A GLN 475.A NE2 GLN 32.A OE1 no hydrogen 2.800 N/A GLN 475.A NE2 GLU 152.A OE1 no hydrogen 3.372 N/A GLN 476.A N GLU 472.A O no hydrogen 3.311 N/A GLN 476.A NE2 GLU 480.A OE2 no hydrogen 3.057 N/A GLU 477.A N ARG 473.A O no hydrogen 2.913 N/A VAL 478.A N TRP 474.A O no hydrogen 2.990 N/A ALA 479.A N GLN 475.A O no hydrogen 2.780 N/A GLU 480.A N GLN 476.A O no hydrogen 2.992 N/A THR 481.A N VAL 478.A O no hydrogen 2.952 N/A THR 481.A OG1 GLU 477.A O no hydrogen 2.607 N/A THR 481.A OG1 VAL 478.A O no hydrogen 3.284 N/A VAL 482.A N VAL 478.A O no hydrogen 3.123 N/A PHE 483.A N VAL 478.A O no hydrogen 3.300 N/A ILE 486.A N VAL 482.A O no hydrogen 2.703 N/A ILE 486.A N PHE 483.A O no hydrogen 3.228 N/A ASN 487.A N PHE 483.A O no hydrogen 2.957 N/A ALA 488.A N ASP 484.A O no hydrogen 3.098 N/A GLU 489.A N THR 485.A O no hydrogen 3.473 N/A THR 490.A N ILE 486.A O no hydrogen 2.741 N/A THR 490.A OG1 ILE 486.A O no hydrogen 3.064 N/A ASP 491.A N ASN 487.A O no hydrogen 2.794 N/A ARG 492.A N ALA 488.A O no hydrogen 3.002 N/A LEU 493.A N GLU 489.A O no hydrogen 2.817 N/A GLU 494.A N THR 490.A O no hydrogen 2.878 N/A ALA 495.A N ASP 491.A O no hydrogen 3.160 N/A ARG 496.A N ARG 492.A O no hydrogen 3.149 N/A LYS 497.A N LEU 493.A O no hydrogen 3.228 N/A LYS 498.A N GLU 494.A O no hydrogen 2.888 N/A ALA 499.A N ALA 495.A O no hydrogen 3.113 N/A LYS 500.A N ARG 496.A O no hydrogen 2.733 N/A ASN 501.A N LYS 497.A O no hydrogen 3.105 N/A LYS 502.A N LYS 498.A O no hydrogen 3.128 N/A GLN 503.A N LYS 500.A O no hydrogen 3.048 N/A LEU 504.A N LYS 500.A O no hydrogen 2.918 N/A GLY 505.A N ASN 501.A O no hydrogen 2.895 N/A TYR 510.A OH GLU 546.A OE1 no hydrogen 2.785 N/A LEU 512.A N ASP 509.A O no hydrogen 3.285 N/A LYS 514.A NZ TYR 510.A O no hydrogen 2.817 N/A CYS 516.A SG MET 518.A O no hydrogen 3.278 N/A CYS 516.A SG LEU 540.A O no hydrogen 3.267 N/A ILE 517.A N LEU 540.A O no hydrogen 2.731 N/A HIS 519.A N SER 12.A OG no hydrogen 3.126 N/A HIS 519.A ND1 TYR 537.A OH no hydrogen 2.644 N/A GLY 520.A N PHE 538.A O no hydrogen 2.871 N/A TYR 521.A OH GLU 550.A OE2 no hydrogen 3.203 N/A MET 522.A N ARG 536.A O no hydrogen 2.998 N/A SER 523.A N GLN 590.A O no hydrogen 2.943 N/A LYS 524.A N GLN 534.A O no hydrogen 2.930 N/A GLY 526.A N GLN 532.A O no hydrogen 3.315 N/A PHE 529.A N ASN 527.A OD1 no hydrogen 2.829 N/A LEU 530.A N ASN 527.A O no hydrogen 3.142 N/A THR 531.A N PRO 528.A O no hydrogen 3.062 N/A GLN 532.A N ASN 527.A O no hydrogen 3.280 N/A GLN 534.A N LYS 524.A O no hydrogen 2.988 N/A GLN 534.A NE2 GLN 532.A OE1 no hydrogen 2.957 N/A ARG 535.A NH2 ASP 592.A OD2 no hydrogen 3.031 N/A ARG 536.A N MET 522.A O no hydrogen 2.828 N/A TYR 537.A N ARG 548.A O no hydrogen 2.835 N/A TYR 537.A OH HIS 519.A ND1 no hydrogen 2.644 N/A PHE 538.A N GLY 520.A O no hydrogen 2.777 N/A TYR 539.A N GLU 546.A O no hydrogen 3.320 N/A LEU 540.A N MET 518.A O no hydrogen 2.903 N/A PHE 541.A N ARG 544.A O no hydrogen 3.008 N/A ARG 544.A NE GLU 546.A OE2 no hydrogen 2.735 N/A ARG 544.A NH1 ASN 543.A OD1 no hydrogen 2.640 N/A ARG 544.A NH2 GLU 546.A OE2 no hydrogen 3.339 N/A LEU 545.A N LEU 558.A O no hydrogen 2.643 N/A GLU 546.A N TYR 539.A O no hydrogen 3.015 N/A TRP 547.A N SER 556.A O no hydrogen 3.362 N/A ARG 548.A N TYR 537.A O no hydrogen 2.825 N/A ARG 548.A NE TYR 539.A OH no hydrogen 3.149 N/A ARG 548.A NH1 GLY 549.A O no hydrogen 3.126 N/A ARG 548.A NH2 TYR 539.A OH no hydrogen 3.172 N/A LEU 558.A N LEU 545.A O no hydrogen 2.851 N/A THR 559.A N GLU 562.A OE2 no hydrogen 3.098 N/A THR 559.A OG1 GLU 562.A OE2 no hydrogen 3.552 N/A MET 560.A N ASN 543.A O no hydrogen 3.041 N/A GLU 562.A N THR 559.A O no hydrogen 3.262 N/A GLU 562.A N THR 559.A OG1 no hydrogen 3.144 N/A GLN 564.A N LYS 580.A O no hydrogen 2.887 N/A SER 565.A OG GLU 567.A OE1 no hydrogen 3.258 N/A GLU 567.A N LEU 578.A O no hydrogen 3.036 N/A THR 569.A N CYS 576.A O no hydrogen 2.695 N/A ILE 571.A N ARG 574.A O no hydrogen 2.862 N/A ARG 574.A N ILE 571.A O no hydrogen 2.534 N/A CYS 576.A N THR 569.A O no hydrogen 2.753 N/A CYS 576.A SG ARG 574.A O no hydrogen 3.392 N/A LEU 577.A N LEU 589.A O no hydrogen 2.843 N/A LEU 578.A N GLU 567.A O no hydrogen 2.678 N/A LEU 579.A N PHE 587.A O no hydrogen 2.720 N/A LYS 580.A N SER 565.A O no hydrogen 3.255 N/A LYS 580.A NZ GLU 567.A OE1 no hydrogen 3.233 N/A ILE 581.A N LYS 585.A O no hydrogen 2.659 N/A ARG 582.A N GLU 562.A O no hydrogen 3.066 N/A LYS 585.A N ILE 581.A O no hydrogen 3.007 N/A LEU 589.A N LEU 577.A O no hydrogen 2.974 N/A GLN 590.A N SER 523.A O no hydrogen 2.740 N/A GLN 590.A NE2 CYS 591.A O no hydrogen 3.372 N/A SER 593.A OG GLU 596.A OE1 no hydrogen 2.470 N/A ASP 594.A N ASN 154.A OD1 no hydrogen 3.027 N/A LEU 597.A N SER 593.A O no hydrogen 3.077 N/A VAL 598.A N ASP 594.A O no hydrogen 2.907 N/A GLN 599.A N PRO 595.A O no hydrogen 2.885 N/A GLN 599.A NE2 ASP 20.A OD2 no hydrogen 3.094 N/A GLN 599.A NE2 GLU 603.A OE2 no hydrogen 2.854 N/A TRP 600.A N GLU 596.A O no hydrogen 2.841 N/A LYS 601.A N LEU 597.A O no hydrogen 3.096 N/A LYS 602.A N VAL 598.A O no hydrogen 3.285 N/A GLU 603.A N GLN 599.A O no hydrogen 2.936 N/A LEU 604.A N TRP 600.A O no hydrogen 2.867 N/A ARG 605.A N LYS 601.A O no hydrogen 3.029 N/A ARG 605.A NE VAL 566.A O no hydrogen 3.300 N/A ARG 605.A NH2 VAL 566.A O no hydrogen 2.898 N/A ASP 606.A N LYS 602.A O no hydrogen 2.992 N/A ALA 607.A N GLU 603.A O no hydrogen 2.893 N/A ALA 607.A N LEU 604.A O no hydrogen 3.284 N/A TYR 608.A N LEU 604.A O no hydrogen 3.116 N/A ARG 609.A N ARG 605.A O no hydrogen 3.185 N/A GLU 610.A N ASP 606.A O no hydrogen 3.127 N/A ALA 611.A N ALA 607.A O no hydrogen 2.974 N/A GLN 612.A N TYR 608.A O no hydrogen 3.043 N/A GLN 612.A NE2 MET 560.A O no hydrogen 2.935 N/A GLN 612.A NE2 GLU 561.A O no hydrogen 3.338 N/A GLN 612.A NE2 ILE 563.A O no hydrogen 2.907 N/A GLN 613.A N ARG 609.A O no hydrogen 3.115 N/A LEU 614.A N GLU 610.A O no hydrogen 2.832 N/A VAL 615.A N ALA 611.A O no hydrogen 3.117 N/A GLN 616.A N GLN 612.A O no hydrogen 3.327 N/A ARG 617.A N LEU 614.A O no hydrogen 2.774 N/A VAL 618.A N VAL 615.A O no hydrogen 3.196 N/A MET 621.A N VAL 618.A O no hydrogen 3.017 N/A LYS 622.A N VAL 618.A O no hydrogen 3.214 N/A