Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1lkx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N TYR 32.A O no hydrogen 2.858 N/A VAL 6.A N ASP 4.A OD1 no hydrogen 2.653 N/A LEU 7.A N ASP 4.A O no hydrogen 3.284 N/A LEU 8.A N PHE 5.A O no hydrogen 2.746 N/A ALA 15.A N THR 12.A OG1 no hydrogen 3.247 N/A PHE 16.A N THR 12.A O no hydrogen 2.941 N/A ILE 17.A N GLU 13.A O no hydrogen 3.015 N/A GLU 18.A N ASN 14.A O no hydrogen 2.965 N/A ASN 19.A N ALA 15.A O no hydrogen 2.865 N/A ASN 19.A ND2 VAL 2.A O no hydrogen 3.419 N/A LEU 20.A N PHE 16.A O no hydrogen 2.935 N/A THR 21.A N ILE 17.A O no hydrogen 2.753 N/A THR 21.A OG1 ILE 17.A O no hydrogen 2.613 N/A MET 22.A N GLU 18.A O no hydrogen 3.045 N/A ARG 23.A N ASN 19.A O no hydrogen 2.984 N/A ARG 23.A NH1 TYR 30.A O no hydrogen 3.399 N/A ARG 23.A NH2 TYR 30.A O no hydrogen 3.526 N/A HIS 24.A N LEU 20.A O no hydrogen 2.958 N/A HIS 24.A ND1 THR 40.A OG1 no hydrogen 2.856 N/A LYS 25.A N THR 21.A O no hydrogen 3.006 N/A SER 26.A N ARG 23.A O no hydrogen 2.813 N/A SER 26.A OG MET 22.A O no hydrogen 3.324 N/A SER 26.A OG ARG 23.A O no hydrogen 2.859 N/A ASP 27.A N HIS 24.A O no hydrogen 2.992 N/A ASN 28.A N ARG 23.A O no hydrogen 3.087 N/A ASN 28.A ND2 SER 26.A OG no hydrogen 2.970 N/A TYR 30.A OH TYR 49.A OH no hydrogen 2.531 N/A THR 31.A N ILE 38.A O no hydrogen 2.978 N/A ILE 33.A N VAL 36.A O no hydrogen 3.159 N/A GLY 34.A N ASP 4.A OD2 no hydrogen 2.923 N/A VAL 37.A N TYR 551.A O no hydrogen 2.875 N/A ILE 38.A N THR 31.A O no hydrogen 2.774 N/A SER 39.A N ARG 553.A O no hydrogen 3.125 N/A THR 40.A N ILE 29.A O no hydrogen 3.228 N/A THR 40.A OG1 HIS 24.A ND1 no hydrogen 2.856 N/A THR 40.A OG1 ILE 29.A O no hydrogen 3.395 N/A ASN 41.A N ILE 555.A O no hydrogen 3.398 N/A ASN 41.A ND2 GLY 96.A O no hydrogen 2.785 N/A PHE 43.A N ASN 41.A OD1 no hydrogen 2.903 N/A LYS 44.A NZ ASP 27.A OD1 no hydrogen 3.295 N/A ILE 48.A N LEU 46.A O no hydrogen 2.435 N/A TYR 49.A OH TYR 30.A OH no hydrogen 2.531 N/A LYS 50.A N ASP 53.A OD2 no hydrogen 2.596 N/A LYS 50.A NZ SER 52.A OG no hydrogen 3.139 N/A LYS 50.A NZ ASP 53.A OD1 no hydrogen 2.768 N/A LYS 50.A NZ ASP 53.A OD2 no hydrogen 2.594 N/A ILE 54.A N LYS 50.A O no hydrogen 2.943 N/A LYS 55.A N GLU 51.A O no hydrogen 2.711 N/A ALA 56.A N SER 52.A O no hydrogen 2.757 N/A TYR 57.A N ASP 53.A O no hydrogen 3.040 N/A TYR 57.A OH PRO 66.A O no hydrogen 3.214 N/A ASN 58.A N ILE 54.A O no hydrogen 3.078 N/A TYR 61.A N GLU 64.A OE1 no hydrogen 2.616 N/A LYS 62.A NZ ASP 35.A OD1 no hydrogen 3.076 N/A GLU 64.A N TYR 61.A O no hydrogen 2.927 N/A HIS 68.A N TYR 32.A OH no hydrogen 3.048 N/A TYR 70.A OH GLN 108.A OE1 no hydrogen 2.682 N/A ALA 71.A N HIS 68.A O no hydrogen 2.856 N/A LEU 72.A N MET 69.A O no hydrogen 3.079 N/A ALA 73.A N MET 69.A O no hydrogen 3.327 N/A ASN 74.A N TYR 70.A O no hydrogen 2.683 N/A ASP 75.A N ALA 71.A O no hydrogen 3.021 N/A ALA 76.A N LEU 72.A O no hydrogen 2.893 N/A TYR 77.A N ALA 73.A O no hydrogen 2.853 N/A TYR 77.A OH GLY 164.A O no hydrogen 2.533 N/A ARG 78.A N ASN 74.A O no hydrogen 2.936 N/A ARG 78.A NH2 GLY 59.A O no hydrogen 3.235 N/A ARG 78.A NH2 ARG 60.A O no hydrogen 3.184 N/A SER 79.A N ASP 75.A O no hydrogen 2.834 N/A SER 79.A OG ASP 75.A O no hydrogen 2.857 N/A SER 79.A OG ASP 75.A OD2 no hydrogen 2.813 N/A MET 80.A N ALA 76.A O no hydrogen 2.975 N/A ARG 81.A N TYR 77.A O no hydrogen 2.914 N/A ARG 81.A NE VAL 163.A O no hydrogen 2.815 N/A GLN 82.A N ARG 78.A O no hydrogen 2.737 N/A SER 83.A N SER 79.A O no hydrogen 2.854 N/A SER 83.A OG SER 79.A O no hydrogen 2.841 N/A SER 83.A OG GLU 85.A OE1 no hydrogen 3.398 N/A GLN 84.A NE2 ALA 162.A O no hydrogen 3.285 N/A GLU 85.A N SER 83.A OG no hydrogen 3.405 N/A GLN 87.A N VAL 359.A O no hydrogen 2.944 N/A GLN 87.A NE2 GLU 85.A O no hydrogen 2.954 N/A CYS 88.A N SER 548.A O no hydrogen 3.247 N/A CYS 88.A SG LEU 544.A O no hydrogen 3.709 N/A VAL 89.A N GLY 361.A O no hydrogen 2.830 N/A ILE 90.A N HIS 550.A O no hydrogen 3.091 N/A SER 92.A N VAL 552.A O no hydrogen 3.319 N/A SER 95.A N PHE 368.A O no hydrogen 3.164 N/A ALA 97.A N GLU 94.A O no hydrogen 3.077 N/A LYS 99.A NZ GLY 93.A O no hydrogen 3.020 N/A LYS 99.A NZ GLU 94.A O no hydrogen 3.140 N/A THR 100.A OG1 SER 150.A OG no hydrogen 2.736 N/A THR 100.A OG1 ASP 364.A OD1 no hydrogen 3.336 N/A THR 100.A OG1 ASP 364.A OD2 no hydrogen 3.366 N/A ALA 102.A N GLY 98.A O no hydrogen 3.165 N/A SER 103.A N LYS 99.A O no hydrogen 2.925 N/A SER 103.A OG THR 100.A O no hydrogen 3.126 N/A LYS 104.A N THR 100.A O no hydrogen 3.282 N/A LYS 104.A N GLU 101.A O no hydrogen 3.199 N/A LYS 104.A NZ GLU 101.A OE1 no hydrogen 2.771 N/A LYS 104.A NZ GLU 136.A OE2 no hydrogen 3.415 N/A LYS 105.A N GLU 101.A O no hydrogen 3.028 N/A ILE 106.A N ALA 102.A O no hydrogen 2.929 N/A MET 107.A N SER 103.A O no hydrogen 3.148 N/A GLN 108.A N LYS 104.A O no hydrogen 2.868 N/A GLN 108.A NE2 TYR 49.A O no hydrogen 3.265 N/A PHE 109.A N LYS 105.A O no hydrogen 3.205 N/A LEU 110.A N ILE 106.A O no hydrogen 3.144 N/A THR 111.A N MET 107.A O no hydrogen 2.649 N/A PHE 112.A N LEU 110.A O no hydrogen 2.606 N/A VAL 113.A N PHE 109.A O no hydrogen 3.123 N/A SER 114.A N LEU 110.A O no hydrogen 2.929 N/A SER 114.A OG GLY 164.A O no hydrogen 3.289 N/A SER 115.A OG SER 125.A OG no hydrogen 3.031 N/A GLU 122.A N SER 118.A O no hydrogen 2.839 N/A ARG 123.A N ASN 120.A O no hydrogen 3.202 N/A ILE 124.A N ASN 120.A O no hydrogen 3.386 N/A SER 125.A N GLY 121.A O no hydrogen 3.240 N/A SER 125.A OG SER 115.A OG no hydrogen 3.031 N/A SER 125.A OG GLY 121.A O no hydrogen 2.852 N/A LYS 126.A N GLU 122.A O no hydrogen 3.127 N/A LYS 126.A NZ ASP 130.A OD1 no hydrogen 2.825 N/A LYS 126.A NZ ASP 130.A OD2 no hydrogen 3.162 N/A MET 127.A N ARG 123.A O no hydrogen 3.222 N/A LEU 128.A N ILE 124.A O no hydrogen 2.820 N/A LEU 129.A N SER 125.A O no hydrogen 2.979 N/A ASP 130.A N LYS 126.A O no hydrogen 2.948 N/A SER 131.A N MET 127.A O no hydrogen 3.063 N/A SER 131.A N LEU 128.A O no hydrogen 3.324 N/A SER 131.A OG LEU 128.A O no hydrogen 2.861 N/A ASN 132.A N LEU 129.A O no hydrogen 3.100 N/A ASN 132.A ND2 LEU 129.A O no hydrogen 3.695 N/A LEU 134.A N ASP 130.A O no hydrogen 3.457 N/A LEU 135.A N SER 131.A O no hydrogen 3.008 N/A GLU 136.A N ASN 132.A O no hydrogen 2.815 N/A ALA 137.A N PRO 133.A O no hydrogen 3.185 N/A ALA 137.A N LEU 134.A O no hydrogen 3.218 N/A GLY 139.A N LEU 135.A O no hydrogen 2.710 N/A ASN 140.A N GLU 136.A O no hydrogen 2.956 N/A ASN 140.A ND2 ASN 148.A O no hydrogen 3.451 N/A ALA 141.A N ASN 148.A O no hydrogen 2.894 N/A ALA 141.A N SER 149.A O no hydrogen 3.130 N/A LYS 142.A NZ GLY 187.A O no hydrogen 2.738 N/A THR 143.A N ASN 146.A O no hydrogen 2.909 N/A ARG 145.A N THR 143.A OG1 no hydrogen 3.181 N/A ARG 145.A NE VAL 370.A O no hydrogen 3.386 N/A ARG 145.A NH1 VAL 370.A O no hydrogen 3.247 N/A ASN 146.A N THR 143.A OG1 no hydrogen 3.179 N/A ASN 148.A N ASN 146.A OD1 no hydrogen 2.678 N/A SER 150.A OG THR 100.A OG1 no hydrogen 2.736 N/A ARG 151.A N GLY 139.A O no hydrogen 2.820 N/A ARG 151.A NE GLU 177.A OE1 no hydrogen 2.725 N/A ARG 151.A NH1 SER 149.A OG no hydrogen 2.978 N/A ARG 151.A NH1 GLU 369.A OE1 no hydrogen 2.985 N/A ARG 151.A NH2 GLU 177.A OE1 no hydrogen 3.277 N/A ARG 151.A NH2 GLU 177.A OE2 no hydrogen 2.882 N/A ARG 151.A NH2 GLU 369.A OE2 no hydrogen 3.245 N/A GLY 153.A N TYR 174.A O no hydrogen 3.155 N/A LYS 154.A N ASP 364.A O no hydrogen 2.849 N/A LYS 154.A NZ ASN 132.A OD1 no hydrogen 3.004 N/A TYR 155.A N THR 172.A O no hydrogen 2.806 N/A MET 156.A N ILE 362.A O no hydrogen 2.871 N/A GLU 157.A N LYS 170.A O no hydrogen 2.957 N/A MET 158.A N ILE 360.A O no hydrogen 2.814 N/A GLN 159.A N GLY 168.A O no hydrogen 2.855 N/A PHE 160.A N PRO 358.A O no hydrogen 2.974 N/A ASN 161.A N SER 165.A O no hydrogen 3.212 N/A GLY 164.A N ASN 161.A O no hydrogen 2.666 N/A SER 165.A N ASN 161.A OD1 no hydrogen 2.833 N/A ILE 167.A N GLN 159.A O no hydrogen 2.752 N/A GLY 168.A N GLN 159.A O no hydrogen 3.328 N/A GLY 169.A N ILE 350.A O no hydrogen 3.224 N/A LYS 170.A N GLU 157.A O no hydrogen 3.094 N/A LYS 170.A NZ LYS 170.A O no hydrogen 3.108 N/A LYS 170.A NZ THR 172.A OG1 no hydrogen 2.893 N/A ILE 171.A N ASN 347.A OD1 no hydrogen 2.753 N/A THR 172.A N TYR 155.A O no hydrogen 2.932 N/A TYR 174.A N GLY 153.A O no hydrogen 2.678 N/A GLU 177.A N ARG 151.A O no hydrogen 3.113 N/A LYS 178.A N LEU 176.A O no hydrogen 2.770 N/A LYS 178.A NZ GLU 336.A OE2 no hydrogen 2.547 N/A LYS 178.A NZ ASP 503.A OD1 no hydrogen 3.556 N/A LYS 178.A NZ ASP 503.A OD2 no hydrogen 2.766 N/A SER 179.A OG GLU 377.A OE1 no hydrogen 3.051 N/A ARG 180.A N GLU 177.A O no hydrogen 3.191 N/A ARG 180.A NE GLU 177.A OE1 no hydrogen 2.412 N/A ARG 180.A NH1 GLU 177.A OE2 no hydrogen 3.186 N/A ARG 180.A NH1 GLU 188.A OE1 no hydrogen 2.879 N/A ARG 180.A NH2 GLU 188.A OE1 no hydrogen 2.879 N/A ARG 180.A NH2 ARG 189.A O no hydrogen 3.060 N/A VAL 181.A N LYS 178.A O no hydrogen 3.051 N/A VAL 182.A N SER 179.A O no hydrogen 3.272 N/A GLY 183.A N SER 179.A O no hydrogen 3.182 N/A ARG 184.A NH2 VAL 181.A O no hydrogen 3.399 N/A THR 185.A OG1 GLU 188.A OE2 no hydrogen 3.459 N/A GLN 186.A N GLN 186.A OE1 no hydrogen 2.298 N/A GLY 187.A N SER 224.A O no hydrogen 2.836 N/A GLU 188.A N THR 185.A O no hydrogen 2.860 N/A ARG 189.A N LYS 142.A O no hydrogen 3.109 N/A ARG 189.A NH1 PHE 227.A O no hydrogen 3.152 N/A ARG 189.A NH1 ASP 234.A OD2 no hydrogen 3.048 N/A SER 190.A N TYR 195.A OH no hydrogen 3.000 N/A PHE 191.A N SER 190.A OG no hydrogen 2.581 N/A HIS 192.A N ASN 140.A O no hydrogen 3.236 N/A ILE 193.A N ALA 137.A O no hydrogen 2.884 N/A PHE 194.A N PHE 191.A O no hydrogen 3.277 N/A GLN 196.A N HIS 192.A O no hydrogen 3.039 N/A MET 197.A N ILE 193.A O no hydrogen 2.709 N/A LEU 198.A N PHE 194.A O no hydrogen 3.236 N/A LYS 199.A N GLN 196.A O no hydrogen 3.219 N/A LYS 199.A NZ PHE 227.A O no hydrogen 3.325 N/A LYS 199.A NZ ASP 228.A OD2 no hydrogen 2.930 N/A LYS 199.A NZ ASP 234.A OD1 no hydrogen 3.021 N/A GLY 200.A N MET 197.A O no hydrogen 3.020 N/A LEU 201.A N MET 197.A O no hydrogen 3.048 N/A SER 204.A OG GLU 208.A OE2 no hydrogen 2.708 N/A LYS 205.A N SER 202.A OG no hydrogen 3.374 N/A LYS 205.A NZ GLU 252.A OE2 no hydrogen 3.097 N/A LEU 206.A N SER 202.A O no hydrogen 2.887 N/A ASP 207.A N GLN 203.A O no hydrogen 3.260 N/A GLU 208.A N SER 204.A O no hydrogen 3.000 N/A LEU 209.A N LYS 205.A O no hydrogen 3.108 N/A LEU 209.A N LEU 206.A O no hydrogen 3.021 N/A GLY 210.A N ASP 207.A O no hydrogen 2.976 N/A LEU 211.A N LEU 206.A O no hydrogen 2.858 N/A THR 212.A N TYR 218.A OH no hydrogen 2.655 N/A ALA 217.A N ASN 214.A O no hydrogen 2.973 N/A TYR 218.A N ALA 215.A O no hydrogen 2.869 N/A TYR 220.A OH ASP 328.A OD2 no hydrogen 2.730 N/A LYS 222.A N TYR 218.A O no hydrogen 2.736 N/A LYS 223.A N GLU 219.A O no hydrogen 3.050 N/A LYS 223.A NZ VAL 182.A O no hydrogen 2.674 N/A SER 224.A OG GLU 188.A O no hydrogen 2.976 N/A GLY 225.A N LYS 222.A O no hydrogen 2.768 N/A CYS 226.A SG GLY 187.A O no hydrogen 3.292 N/A CYS 226.A SG ASP 228.A O no hydrogen 3.753 N/A THR 231.A OG1 ASP 147.A OD2 no hydrogen 2.747 N/A ILE 232.A N VAL 229.A O no hydrogen 2.785 N/A SER 235.A OG LYS 199.A O no hydrogen 3.156 N/A GLY 236.A N ASP 233.A OD1 no hydrogen 3.064 N/A GLU 237.A N ASP 233.A O no hydrogen 2.776 N/A PHE 238.A N ASP 234.A O no hydrogen 2.917 N/A ILE 240.A N GLU 237.A O no hydrogen 2.923 N/A ILE 241.A N GLU 237.A O no hydrogen 3.240 N/A VAL 242.A N PHE 238.A O no hydrogen 3.172 N/A LYS 243.A N LYS 239.A O no hydrogen 3.279 N/A ALA 244.A N ILE 240.A O no hydrogen 2.980 N/A MET 245.A N ILE 241.A O no hydrogen 2.701 N/A GLU 246.A N VAL 242.A O no hydrogen 3.262 N/A THR 247.A N LYS 243.A O no hydrogen 2.875 N/A THR 247.A OG1 ASP 130.A OD2 no hydrogen 3.131 N/A THR 247.A OG1 LYS 243.A O no hydrogen 3.347 N/A LEU 248.A N ALA 244.A O no hydrogen 3.027 N/A GLY 249.A N GLU 246.A O no hydrogen 2.804 N/A GLN 255.A N LYS 251.A O no hydrogen 2.954 N/A GLN 255.A NE2 LEU 250.A O no hydrogen 2.757 N/A ASN 256.A N GLU 252.A O no hydrogen 3.240 N/A SER 257.A N SER 253.A O no hydrogen 3.094 N/A SER 257.A OG ASP 518.A OD2 no hydrogen 3.551 N/A ILE 258.A N ASP 254.A O no hydrogen 2.851 N/A TRP 259.A N GLN 255.A O no hydrogen 2.872 N/A ARG 260.A N ASN 256.A O no hydrogen 3.145 N/A ARG 260.A NH1 ASP 518.A OD1 no hydrogen 2.994 N/A LEU 262.A N ILE 258.A O no hydrogen 3.159 N/A ALA 263.A N TRP 259.A O no hydrogen 2.828 N/A ALA 264.A N ARG 260.A O no hydrogen 2.702 N/A ILE 265.A N ILE 261.A O no hydrogen 2.980 N/A LEU 266.A N LEU 262.A O no hydrogen 3.026 N/A HIS 267.A N ALA 263.A O no hydrogen 2.899 N/A HIS 267.A NE2 GLY 210.A O no hydrogen 2.964 N/A ILE 268.A N ALA 264.A O no hydrogen 2.699 N/A GLY 269.A N ILE 265.A O no hydrogen 3.182 N/A ASN 270.A N HIS 267.A O no hydrogen 2.715 N/A ILE 271.A N ILE 268.A O no hydrogen 3.109 N/A ALA 274.A N LYS 283.A O no hydrogen 2.480 N/A ALA 277.A N GLU 275.A O no hydrogen 2.624 N/A THR 280.A OG1 THR 281.A O no hydrogen 3.396 N/A LYS 283.A N ALA 274.A O no hydrogen 2.671 N/A LYS 283.A NZ SER 305.A OG no hydrogen 2.844 N/A SER 285.A N THR 272.A O no hydrogen 2.902 N/A ASP 286.A N THR 272.A OG1 no hydrogen 2.910 N/A THR 287.A N SER 285.A O no hydrogen 2.455 N/A SER 289.A N ASP 286.A O no hydrogen 3.057 N/A SER 289.A N ASP 286.A OD2 no hydrogen 3.251 N/A SER 289.A OG ASP 286.A OD1 no hydrogen 3.019 N/A SER 289.A OG ASP 286.A OD2 no hydrogen 3.305 N/A LEU 290.A N ASP 286.A O no hydrogen 3.422 N/A ALA 291.A N THR 287.A O no hydrogen 2.823 N/A ALA 291.A N LYS 288.A O no hydrogen 3.229 N/A ALA 292.A N LYS 288.A O no hydrogen 2.922 N/A ALA 293.A N SER 289.A O no hydrogen 2.796 N/A ALA 294.A N LEU 290.A O no hydrogen 3.301 N/A SER 295.A N ALA 291.A O no hydrogen 2.894 N/A CYS 296.A N ALA 292.A O no hydrogen 2.947 N/A CYS 296.A SG LEU 209.A O no hydrogen 3.616 N/A CYS 296.A SG HIS 267.A ND1 no hydrogen 3.966 N/A CYS 296.A SG ALA 292.A O no hydrogen 3.362 N/A LEU 297.A N ALA 293.A O no hydrogen 2.975 N/A LYS 298.A N SER 295.A O no hydrogen 3.338 N/A THR 299.A N ALA 294.A O no hydrogen 3.103 N/A SER 303.A N ASP 300.A OD2 no hydrogen 2.754 N/A SER 303.A OG ASP 300.A OD2 no hydrogen 2.914 N/A LEU 304.A N ASP 300.A O no hydrogen 3.108 N/A SER 305.A N GLN 301.A O no hydrogen 3.122 N/A ILE 306.A N GLN 302.A O no hydrogen 2.836 N/A ALA 307.A N SER 303.A O no hydrogen 2.995 N/A ALA 307.A N LEU 304.A O no hydrogen 2.735 N/A LEU 308.A N LEU 304.A O no hydrogen 3.077 N/A LEU 308.A N SER 305.A O no hydrogen 3.170 N/A CYS 309.A N SER 305.A O no hydrogen 3.247 N/A CYS 309.A SG VAL 282.A O no hydrogen 3.419 N/A CYS 309.A SG SER 305.A O no hydrogen 3.313 N/A TYR 310.A N ILE 306.A O no hydrogen 3.017 N/A ARG 311.A N VAL 316.A O no hydrogen 2.910 N/A SER 312.A OG ARG 311.A O no hydrogen 2.399 N/A MET 318.A N CYS 309.A O no hydrogen 3.269 N/A CYS 320.A SG PHE 273.A O no hydrogen 3.747 N/A ALA 323.A N ASP 319.A O no hydrogen 2.966 N/A TYR 325.A N ASN 321.A O no hydrogen 2.803 N/A TYR 325.A OH ASP 499.A OD2 no hydrogen 3.039 N/A SER 326.A N GLN 322.A O no hydrogen 2.939 N/A SER 326.A OG GLN 322.A O no hydrogen 3.395 N/A ARG 327.A N ALA 323.A O no hydrogen 2.918 N/A ARG 327.A NE ASP 328.A OD2 no hydrogen 3.129 N/A ARG 327.A NH1 ILE 271.A O no hydrogen 3.113 N/A ARG 327.A NH2 ASP 328.A OD2 no hydrogen 3.336 N/A ASP 328.A N ALA 324.A O no hydrogen 3.094 N/A ALA 329.A N TYR 325.A O no hydrogen 2.811 N/A LEU 330.A N SER 326.A O no hydrogen 2.973 N/A LEU 330.A N ARG 327.A O no hydrogen 3.230 N/A ALA 331.A N ARG 327.A O no hydrogen 3.217 N/A LYS 332.A N ASP 328.A O no hydrogen 3.019 N/A ALA 333.A N ALA 329.A O no hydrogen 3.046 N/A LEU 334.A N LEU 330.A O no hydrogen 2.928 N/A TYR 335.A N ALA 331.A O no hydrogen 3.200 N/A TYR 335.A OH PHE 138.A O no hydrogen 2.513 N/A GLU 336.A N LYS 332.A O no hydrogen 3.092 N/A ARG 337.A N ALA 333.A O no hydrogen 3.003 N/A ARG 337.A NE LEU 524.A O no hydrogen 3.279 N/A LEU 338.A N LEU 334.A O no hydrogen 2.802 N/A PHE 339.A N TYR 335.A O no hydrogen 2.783 N/A ASN 340.A N GLU 336.A O no hydrogen 2.993 N/A TRP 341.A N ARG 337.A O no hydrogen 2.738 N/A LEU 342.A N LEU 338.A O no hydrogen 2.827 N/A VAL 343.A N PHE 339.A O no hydrogen 3.043 N/A SER 344.A N ASN 340.A O no hydrogen 3.327 N/A SER 344.A OG ASN 340.A O no hydrogen 3.230 N/A SER 344.A OG TRP 341.A O no hydrogen 2.671 N/A LYS 345.A N TRP 341.A O no hydrogen 2.696 N/A ILE 346.A N LEU 342.A O no hydrogen 2.995 N/A ASN 347.A N VAL 343.A O no hydrogen 2.734 N/A ASN 347.A ND2 ILE 171.A O no hydrogen 3.348 N/A THR 348.A N SER 344.A O no hydrogen 2.928 N/A THR 348.A N LYS 345.A O no hydrogen 3.300 N/A THR 348.A OG1 SER 344.A O no hydrogen 3.003 N/A ILE 350.A N ILE 346.A O no hydrogen 2.927 N/A ASN 351.A N ASN 347.A O no hydrogen 2.748 N/A CYS 352.A SG GLU 355.A O no hydrogen 4.028 N/A ILE 360.A N MET 158.A O no hydrogen 2.807 N/A GLY 361.A N GLN 87.A O no hydrogen 2.736 N/A ILE 362.A N MET 156.A O no hydrogen 2.744 N/A LEU 363.A N VAL 89.A O no hydrogen 2.932 N/A ASP 364.A N LYS 154.A O no hydrogen 2.767 N/A TYR 366.A OH LEU 175.A O no hydrogen 2.867 N/A GLU 369.A N ASN 382.A OD1 no hydrogen 3.043 N/A PHE 371.A N ASN 374.A OD1 no hydrogen 2.656 N/A ASN 374.A ND2 THR 491.A O no hydrogen 3.297 N/A SER 375.A N GLN 378.A OE1 no hydrogen 2.996 N/A PHE 376.A N SER 375.A OG no hydrogen 2.506 N/A GLN 378.A NE2 GLU 369.A OE2 no hydrogen 2.760 N/A LEU 379.A N SER 375.A O no hydrogen 3.202 N/A ASN 380.A N PHE 376.A O no hydrogen 3.204 N/A ILE 381.A N GLU 377.A O no hydrogen 2.991 N/A ASN 382.A N GLN 378.A O no hydrogen 2.788 N/A ASN 382.A ND2 GLU 369.A O no hydrogen 3.225 N/A ASN 382.A ND2 TYR 492.A OH no hydrogen 2.874 N/A PHE 383.A N LEU 379.A O no hydrogen 2.816 N/A CYS 384.A N ASN 380.A O no hydrogen 2.735 N/A ASN 385.A N ILE 381.A O no hydrogen 3.032 N/A ASN 385.A ND2 TYR 366.A O no hydrogen 2.736 N/A ASN 385.A ND2 ILE 381.A O no hydrogen 2.822 N/A GLU 386.A N ASN 382.A O no hydrogen 2.834 N/A LYS 387.A N PHE 383.A O no hydrogen 3.015 N/A LYS 387.A NZ ASN 538.A OD1 no hydrogen 2.890 N/A LEU 388.A N CYS 384.A O no hydrogen 3.142 N/A GLN 389.A N ASN 385.A O no hydrogen 2.949 N/A GLN 390.A N GLU 386.A O no hydrogen 2.827 N/A LEU 391.A N LYS 387.A O no hydrogen 2.900 N/A PHE 392.A N LEU 388.A O no hydrogen 3.035 N/A ILE 393.A N GLN 389.A O no hydrogen 3.065 N/A GLU 394.A N GLN 390.A O no hydrogen 2.882 N/A LEU 395.A N LEU 391.A O no hydrogen 2.871 N/A LEU 397.A N ILE 393.A O no hydrogen 3.054 N/A LYS 398.A N ILE 393.A O no hydrogen 2.907 N/A LYS 398.A NZ GLU 394.A OE1 no hydrogen 2.565 N/A LYS 398.A NZ GLU 394.A OE2 no hydrogen 3.060 N/A LYS 398.A NZ GLU 402.A OE2 no hydrogen 2.709 N/A SER 399.A N GLU 394.A O no hydrogen 2.950 N/A GLU 400.A N LEU 395.A O no hydrogen 3.450 N/A GLN 401.A N LEU 397.A O no hydrogen 3.305 N/A GLN 401.A NE2 ILE 414.A O no hydrogen 3.060 N/A GLU 402.A N LYS 398.A O no hydrogen 2.824 N/A GLU 403.A N SER 399.A O no hydrogen 3.154 N/A GLU 403.A N GLU 400.A O no hydrogen 3.158 N/A TYR 404.A N GLU 400.A O no hydrogen 3.423 N/A TYR 404.A OH GLU 400.A OE1 no hydrogen 2.923 N/A ARG 406.A N GLU 402.A O no hydrogen 3.411 N/A GLU 407.A N GLU 403.A O no hydrogen 2.860 N/A GLY 408.A N VAL 405.A O no hydrogen 2.513 N/A ILE 409.A N TYR 404.A O no hydrogen 2.645 N/A LYS 420.A NZ GLU 386.A OE2 no hydrogen 2.615 N/A LYS 420.A NZ LYS 420.A O no hydrogen 3.009 N/A LYS 420.A NZ GLU 424.A OE2 no hydrogen 2.856 N/A CYS 423.A N LYS 420.A O no hydrogen 2.954 N/A CYS 423.A SG LYS 420.A O no hydrogen 3.827 N/A CYS 423.A SG LYS 484.A O no hydrogen 3.921 N/A LEU 425.A N PRO 421.A O no hydrogen 3.236 N/A ILE 426.A N ILE 422.A O no hydrogen 3.121 N/A GLU 427.A N GLU 424.A O no hydrogen 2.449 N/A LEU 433.A N ILE 426.A O no hydrogen 3.168 N/A LEU 436.A N GLY 432.A O no hydrogen 2.755 N/A LEU 437.A N LEU 433.A O no hydrogen 2.924 N/A ASP 438.A N ILE 434.A O no hydrogen 2.980 N/A GLU 439.A N SER 435.A O no hydrogen 3.080 N/A ALA 440.A N LEU 436.A O no hydrogen 2.751 N/A CYS 441.A N ASP 438.A O no hydrogen 2.757 N/A CYS 441.A SG LEU 437.A O no hydrogen 3.228 N/A CYS 441.A SG LEU 498.A O no hydrogen 3.900 N/A LEU 442.A N GLU 439.A O no hydrogen 3.272 N/A SER 446.A N ILE 443.A O no hydrogen 3.117 N/A SER 446.A OG ALA 440.A O no hydrogen 2.616 N/A SER 446.A OG ILE 443.A O no hydrogen 2.791 N/A THR 447.A N THR 450.A OG1 no hydrogen 3.046 N/A THR 450.A OG1 THR 447.A O no hydrogen 3.006 N/A PHE 451.A N THR 447.A O no hydrogen 3.033 N/A LEU 452.A N ASP 448.A O no hydrogen 3.069 N/A ASP 453.A N GLN 449.A O no hydrogen 3.199 N/A SER 454.A N THR 450.A O no hydrogen 3.332 N/A SER 454.A OG THR 450.A O no hydrogen 3.020 N/A SER 454.A OG PHE 451.A O no hydrogen 3.304 N/A ILE 455.A N PHE 451.A O no hydrogen 3.206 N/A CYS 456.A N LEU 452.A O no hydrogen 2.874 N/A CYS 456.A SG LEU 452.A O no hydrogen 3.143 N/A LYS 457.A N ASP 453.A O no hydrogen 2.822 N/A GLN 458.A N SER 454.A O no hydrogen 2.653 N/A GLN 458.A NE2 GLN 458.A O no hydrogen 3.086 N/A PHE 459.A N ILE 455.A O no hydrogen 2.898 N/A GLN 466.A N ARG 482.A O no hydrogen 2.952 N/A SER 467.A OG GLU 460.A OE1 no hydrogen 2.548 N/A SER 467.A OG GLU 460.A OE2 no hydrogen 2.512 N/A LYS 472.A N VAL 470.A O no hydrogen 2.867 N/A ARG 474.A NH2 ASP 478.A OD1 no hydrogen 2.929 N/A SER 475.A N ASP 473.A OD2 no hydrogen 2.799 N/A SER 475.A OG ASP 473.A OD2 no hydrogen 2.800 N/A ILE 476.A N ASP 473.A O no hydrogen 3.042 N/A THR 479.A OG1 ASP 493.A OD2 no hydrogen 3.048 N/A CYS 480.A N GLY 477.A O no hydrogen 3.488 N/A PHE 481.A N TYR 492.A O no hydrogen 3.095 N/A ARG 482.A N GLN 466.A O no hydrogen 2.946 N/A LEU 483.A N VAL 490.A O no hydrogen 2.836 N/A LYS 484.A N HIS 464.A O no hydrogen 2.625 N/A LYS 484.A NZ ASP 489.A OD1 no hydrogen 3.215 N/A LYS 484.A NZ ASP 489.A OD2 no hydrogen 3.410 N/A HIS 485.A N LEU 483.A O no hydrogen 3.117 N/A HIS 485.A ND1 GLU 386.A OE1 no hydrogen 2.777 N/A HIS 485.A NE2 TYR 492.A OH no hydrogen 2.463 N/A TYR 486.A N GLU 386.A OE1 no hydrogen 2.841 N/A GLY 488.A N HIS 485.A O no hydrogen 3.270 N/A VAL 490.A N LEU 483.A O no hydrogen 2.980 N/A TYR 492.A N PHE 481.A O no hydrogen 3.079 N/A TYR 492.A OH HIS 485.A NE2 no hydrogen 2.463 N/A ASP 493.A N ASN 374.A O no hydrogen 2.941 N/A VAL 494.A N THR 479.A O no hydrogen 2.969 N/A ARG 495.A N ASP 493.A OD2 no hydrogen 3.099 N/A ARG 495.A NH2 THR 479.A OG1 no hydrogen 3.327 N/A GLY 496.A N ASP 448.A OD1 no hydrogen 2.621 N/A PHE 497.A N VAL 494.A O no hydrogen 2.949 N/A LEU 498.A N ASP 448.A OD2 no hydrogen 3.268 N/A LYS 500.A N GLY 496.A O no hydrogen 3.075 N/A ASN 501.A N PHE 497.A O no hydrogen 3.086 N/A ASN 501.A ND2 LEU 437.A O no hydrogen 3.619 N/A ASN 501.A ND2 ASP 438.A OD1 no hydrogen 2.927 N/A LYS 502.A N LEU 498.A O no hydrogen 2.712 N/A ASP 503.A N ASP 499.A O no hydrogen 3.146 N/A ILE 510.A N PHE 506.A O no hydrogen 3.199 N/A SER 511.A N GLY 507.A O no hydrogen 2.708 N/A SER 511.A OG GLY 507.A O no hydrogen 2.807 N/A SER 511.A OG ASP 508.A O no hydrogen 2.787 N/A SER 512.A N ASP 508.A O no hydrogen 2.939 N/A MET 513.A N ILE 510.A O no hydrogen 2.857 N/A GLN 514.A N ILE 510.A O no hydrogen 2.981 N/A SER 515.A N SER 511.A O no hydrogen 2.950 N/A SER 515.A OG SER 511.A O no hydrogen 3.260 N/A SER 515.A OG SER 512.A O no hydrogen 2.538 N/A SER 516.A N MET 513.A O no hydrogen 2.682 N/A SER 516.A OG LEU 297.A O no hydrogen 2.468 N/A SER 516.A OG LYS 298.A O no hydrogen 3.312 N/A SER 517.A N LYS 298.A O no hydrogen 3.081 N/A ASP 518.A N SER 516.A OG no hydrogen 3.227 N/A VAL 521.A N ASP 518.A OD1 no hydrogen 3.326 N/A GLN 522.A N ASP 518.A O no hydrogen 3.288 N/A LEU 524.A N LEU 520.A O no hydrogen 2.889 N/A LEU 524.A N VAL 521.A O no hydrogen 2.797 N/A PHE 525.A N VAL 521.A O no hydrogen 3.388 N/A PHE 525.A N GLN 522.A O no hydrogen 3.184 N/A THR 528.A OG1 ASP 438.A OD1 no hydrogen 2.712 N/A THR 528.A OG1 ASP 438.A OD2 no hydrogen 2.563 N/A THR 528.A OG1 SER 531.A OG no hydrogen 2.433 N/A ALA 529.A N ASN 501.A O no hydrogen 3.086 N/A GLY 530.A N ASN 501.A OD1 no hydrogen 3.034 N/A SER 531.A OG ASP 438.A OD2 no hydrogen 3.118 N/A SER 531.A OG THR 528.A O no hydrogen 3.163 N/A SER 531.A OG THR 528.A OG1 no hydrogen 2.433 N/A GLN 532.A N THR 528.A O no hydrogen 3.040 N/A PHE 533.A N ALA 529.A O no hydrogen 2.901 N/A ARG 534.A N GLY 530.A O no hydrogen 2.840 N/A ASN 535.A N SER 531.A O no hydrogen 3.173 N/A ASN 535.A N GLN 532.A O no hydrogen 3.108 N/A ALA 536.A N GLN 532.A O no hydrogen 3.107 N/A MET 537.A N PHE 533.A O no hydrogen 2.969 N/A ASN 538.A N ARG 534.A O no hydrogen 3.193 N/A ALA 539.A N ASN 535.A O no hydrogen 2.771 N/A LEU 540.A N ALA 536.A O no hydrogen 2.904 N/A ILE 541.A N MET 537.A O no hydrogen 2.904 N/A THR 542.A N ASN 538.A O no hydrogen 3.103 N/A THR 542.A OG1 ASN 538.A O no hydrogen 3.029 N/A THR 542.A OG1 ALA 539.A O no hydrogen 2.841 N/A THR 543.A N ALA 539.A O no hydrogen 3.094 N/A LEU 544.A N LEU 540.A O no hydrogen 3.033 N/A LEU 545.A N ILE 541.A O no hydrogen 3.214 N/A ALA 546.A N THR 543.A O no hydrogen 3.063 N/A CYS 547.A SG THR 543.A O no hydrogen 3.703 N/A SER 548.A N ASN 86.A O no hydrogen 2.917 N/A HIS 550.A NE2 GLN 87.A OE1 no hydrogen 2.969 N/A VAL 552.A N ILE 90.A O no hydrogen 3.250 N/A ARG 553.A N VAL 37.A O no hydrogen 2.705 N/A ARG 553.A NE SER 92.A OG no hydrogen 3.037 N/A ARG 553.A NH1 SER 92.A OG no hydrogen 3.197 N/A ARG 553.A NH1 GLN 389.A OE1 no hydrogen 3.326 N/A CYS 554.A N SER 92.A O no hydrogen 2.834 N/A CYS 554.A SG SER 39.A OG no hydrogen 3.457 N/A ILE 555.A N SER 39.A O no hydrogen 2.772 N/A LYS 556.A NZ ASP 559.A OD2 no hydrogen 3.296 N/A SER 557.A OG ASN 41.A O no hydrogen 2.443 N/A ASN 558.A ND2 GLN 562.A O no hydrogen 2.876 N/A ASN 558.A ND2 VAL 565.A O no hydrogen 2.949 N/A ASN 560.A N ASN 558.A OD1 no hydrogen 2.909 N/A ASN 560.A ND2 GLN 562.A OE1 no hydrogen 3.003 N/A LYS 561.A NZ ARG 145.A O no hydrogen 3.422 N/A GLN 562.A N ASN 558.A OD1 no hydrogen 2.988 N/A ASP 567.A N SER 557.A O no hydrogen 3.089 N/A ARG 570.A NE ASP 559.A OD1 no hydrogen 2.783 N/A ARG 570.A NH1 GLU 94.A OE1 no hydrogen 3.288 N/A ARG 570.A NH1 GLU 94.A OE2 no hydrogen 3.279 N/A ARG 570.A NH2 GLU 94.A OE2 no hydrogen 2.549 N/A VAL 571.A N ASP 567.A O no hydrogen 2.886 N/A ARG 572.A N GLU 568.A O no hydrogen 2.782 N/A ARG 572.A NH1 GLU 13.A OE2 no hydrogen 2.997 N/A ARG 572.A NH1 ASN 14.A OD1 no hydrogen 2.700 N/A ARG 572.A NH2 ASN 14.A OD1 no hydrogen 3.405 N/A ARG 572.A NH2 GLU 568.A OE1 no hydrogen 2.904 N/A HIS 573.A N ASP 569.A O no hydrogen 2.754 N/A GLN 574.A N ARG 570.A O no hydrogen 3.309 N/A VAL 575.A N VAL 571.A O no hydrogen 2.987 N/A ARG 576.A N ARG 572.A O no hydrogen 2.989 N/A ARG 576.A N HIS 573.A O no hydrogen 2.843 N/A ARG 576.A NE GLU 13.A OE1 no hydrogen 3.278 N/A ARG 576.A NH1 GLU 13.A OE2 no hydrogen 2.906 N/A TYR 577.A N HIS 573.A O no hydrogen 2.850 N/A TYR 577.A OH GLU 94.A OE1 no hydrogen 2.768 N/A LEU 578.A N GLN 574.A O no hydrogen 2.876 N/A GLY 579.A N ARG 576.A O no hydrogen 3.010 N/A GLU 582.A N GLU 582.A OE2 no hydrogen 2.500 N/A ASN 583.A N LEU 580.A O no hydrogen 2.969 N/A VAL 584.A N LEU 580.A O no hydrogen 3.099 N/A ARG 585.A N LEU 581.A O no hydrogen 2.954 N/A ARG 587.A N ASN 583.A O no hydrogen 2.744 N/A ARG 587.A NH1 GLU 400.A OE2 no hydrogen 2.938 N/A ARG 587.A NH2 PHE 591.A O no hydrogen 3.213 N/A ARG 588.A N VAL 584.A O no hydrogen 2.876 N/A ARG 588.A NH1 LEU 8.A O no hydrogen 2.890 N/A ALA 589.A N ARG 585.A O no hydrogen 3.185 N/A GLY 590.A N VAL 586.A O no hydrogen 2.677 N/A PHE 591.A N TYR 404.A OH no hydrogen 2.745 N/A ALA 592.A N ARG 638.A O no hydrogen 2.552 N/A ARG 594.A NH2 PHE 591.A O no hydrogen 3.254 N/A TYR 597.A N THR 633.A O no hydrogen 2.615 N/A TYR 597.A OH GLY 631.A O no hydrogen 2.533 N/A ARG 599.A NH1 GLU 596.A OE1 no hydrogen 3.289 N/A PHE 600.A N TYR 597.A O no hydrogen 2.569 N/A TYR 601.A N TYR 597.A O no hydrogen 3.266 N/A ASN 602.A ND2 THR 598.A O no hydrogen 3.189 N/A ARG 603.A N TYR 601.A O no hydrogen 2.526 N/A TYR 604.A N PHE 600.A O no hydrogen 2.657 N/A LYS 609.A NZ LEU 607.A O no hydrogen 2.714 N/A LYS 611.A NZ TYR 597.A OH no hydrogen 2.556 N/A GLN 612.A N GLN 612.A OE1 no hydrogen 3.176 N/A LEU 616.A N GLN 612.A O no hydrogen 3.375 N/A ILE 617.A N ALA 613.A O no hydrogen 3.022 N/A LEU 618.A N THR 614.A O no hydrogen 3.323 N/A GLN 619.A N GLU 615.A O no hydrogen 3.001 N/A GLN 620.A N LEU 616.A O no hydrogen 3.073 N/A ASN 622.A N GLN 619.A O no hydrogen 3.468 N/A ILE 628.A N LYS 625.A O no hydrogen 3.017 N/A ARG 629.A N PHE 636.A O no hydrogen 3.117 N/A GLY 631.A N LYS 634.A O no hydrogen 2.760 N/A LYS 632.A NZ ARG 406.A O no hydrogen 2.917 N/A THR 633.A OG1 GLU 407.A OE1 no hydrogen 2.469 N/A THR 633.A OG1 GLU 407.A OE2 no hydrogen 3.259 N/A VAL 635.A N ILE 595.A O no hydrogen 2.770 N/A PHE 636.A N ARG 629.A O no hydrogen 3.016 N/A ILE 637.A N GLY 593.A O no hydrogen 3.041 N/A ARG 638.A N GLU 627.A O no hydrogen 2.767 N/A ASN 639.A N GLU 627.A OE1 no hydrogen 3.217 N/A ASN 639.A ND2 THR 641.A OG1 no hydrogen 3.077 N/A THR 642.A OG1 GLU 627.A OE1 no hydrogen 2.638 N/A THR 642.A OG1 ASN 639.A O no hydrogen 3.075 N/A PHE 644.A N PRO 640.A O no hydrogen 3.149 N/A PHE 644.A N THR 641.A O no hydrogen 2.720 N/A TYR 645.A N THR 641.A O no hydrogen 3.007 N/A TYR 645.A OH HIS 621.A ND1 no hydrogen 3.396 N/A GLU 647.A N LEU 643.A O no hydrogen 3.404 N/A GLU 648.A N PHE 644.A O no hydrogen 2.619 N/A LYS 649.A N PHE 646.A O no hydrogen 3.045 N/A