Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1cqe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 3.A ND2 ASP 127.A OD1 no hydrogen 2.914 N/A ASN 3.A ND2 ASP 127.A OD2 no hydrogen 3.520 N/A CYS 5.A N ASN 3.A OD1 no hydrogen 2.828 N/A CYS 5.A SG CYS 16.A O no hydrogen 3.577 N/A CYS 6.A N ASN 3.A O no hydrogen 2.796 N/A CYS 6.A SG ASN 3.A O no hydrogen 3.286 N/A TYR 7.A N PRO 4.A O no hydrogen 3.414 N/A TYR 8.A N CYS 5.A O no hydrogen 3.114 N/A TYR 8.A OH MET 132.A O no hydrogen 3.064 N/A GLN 11.A N ASN 37.A O no hydrogen 2.747 N/A HIS 12.A ND1 CYS 38.A O no hydrogen 2.819 N/A GLY 14.A N GLN 11.A O no hydrogen 3.057 N/A ILE 15.A N ASP 27.A O no hydrogen 2.853 N/A VAL 17.A N GLN 25.A O no hydrogen 2.616 N/A ARG 18.A NH1 LEU 21.A O no hydrogen 3.283 N/A PHE 19.A N ARG 23.A O no hydrogen 3.081 N/A ARG 23.A N PHE 19.A O no hydrogen 2.932 N/A TYR 24.A OH ASN 37.A OD1 no hydrogen 2.597 N/A GLN 25.A N VAL 17.A O no hydrogen 2.589 N/A CYS 26.A SG PRO 36.A O no hydrogen 3.106 N/A ASP 27.A N ILE 15.A O no hydrogen 2.587 N/A CYS 28.A SG CYS 26.A O no hydrogen 3.822 N/A CYS 28.A SG GLY 35.A O no hydrogen 3.645 N/A THR 29.A N ASP 27.A OD1 no hydrogen 3.296 N/A THR 29.A OG1 ASP 27.A OD1 no hydrogen 2.566 N/A THR 31.A N CYS 28.A O no hydrogen 2.955 N/A THR 31.A OG1 CYS 28.A O no hydrogen 2.772 N/A TYR 33.A N THR 31.A OG1 no hydrogen 3.220 N/A SER 34.A N ILE 40.A O no hydrogen 2.724 N/A SER 34.A OG ILE 40.A O no hydrogen 3.120 N/A CYS 38.A N GLY 35.A O no hydrogen 3.410 N/A ILE 40.A N SER 34.A O no hydrogen 2.933 N/A GLU 42.A N GLY 32.A O no hydrogen 3.201 N/A THR 45.A OG1 GLY 32.A O no hydrogen 2.976 N/A TRP 46.A N GLU 42.A O no hydrogen 2.837 N/A LEU 47.A N ILE 43.A O no hydrogen 3.286 N/A ARG 48.A N TRP 44.A O no hydrogen 3.100 N/A THR 49.A N THR 45.A O no hydrogen 3.166 N/A THR 49.A OG1 THR 45.A O no hydrogen 2.888 N/A THR 49.A OG1 TRP 46.A O no hydrogen 3.260 N/A THR 50.A N TRP 46.A O no hydrogen 3.146 N/A THR 50.A OG1 TRP 46.A O no hydrogen 2.808 N/A THR 50.A OG1 LEU 47.A O no hydrogen 3.116 N/A LEU 51.A N ARG 48.A O no hydrogen 3.323 N/A ARG 52.A N THR 49.A O no hydrogen 3.051 N/A ARG 52.A NH1 GLY 440.A O no hydrogen 3.022 N/A ARG 52.A NH2 GLY 440.A O no hydrogen 2.979 N/A SER 56.A OG GLU 489.A OE2 no hydrogen 3.169 N/A PHE 57.A N SER 54.A OG no hydrogen 3.122 N/A ILE 58.A N SER 54.A O no hydrogen 2.949 N/A HIS 59.A N PRO 55.A O no hydrogen 2.872 N/A PHE 60.A N SER 56.A O no hydrogen 3.080 N/A LEU 61.A N PHE 57.A O no hydrogen 3.259 N/A LEU 62.A N ILE 58.A O no hydrogen 3.003 N/A THR 63.A N HIS 59.A O no hydrogen 3.248 N/A THR 63.A N PHE 60.A O no hydrogen 3.111 N/A THR 63.A OG1 HIS 59.A O no hydrogen 3.028 N/A THR 63.A OG1 PHE 60.A O no hydrogen 3.140 N/A HIS 64.A N LEU 61.A O no hydrogen 3.469 N/A ARG 66.A NH1 PHE 325.A O no hydrogen 3.466 N/A LEU 68.A N GLY 65.A O no hydrogen 2.530 N/A TRP 69.A N GLY 65.A O no hydrogen 3.162 N/A TRP 69.A NE1 LEU 61.A O no hydrogen 2.735 N/A ASP 70.A N ARG 66.A O no hydrogen 2.811 N/A VAL 72.A N LEU 68.A O no hydrogen 3.130 N/A ASN 73.A N TRP 69.A O no hydrogen 2.687 N/A ASN 73.A ND2 PHE 325.A O no hydrogen 2.777 N/A ALA 74.A N PHE 71.A O no hydrogen 2.779 N/A THR 75.A N VAL 72.A O no hydrogen 2.908 N/A THR 75.A OG1 VAL 72.A O no hydrogen 3.215 N/A ILE 77.A N THR 75.A OG1 no hydrogen 2.880 N/A ARG 78.A N THR 75.A O no hydrogen 3.502 N/A ARG 78.A NE GLN 327.A O no hydrogen 2.777 N/A ARG 78.A NH2 LEU 328.A O no hydrogen 3.219 N/A ASP 79.A N PHE 76.A O no hydrogen 2.976 N/A THR 80.A N PHE 76.A O no hydrogen 3.203 N/A THR 80.A OG1 PHE 76.A O no hydrogen 3.076 N/A LEU 81.A N ILE 77.A O no hydrogen 3.010 N/A MET 82.A N ARG 78.A O no hydrogen 2.904 N/A ARG 83.A N ASP 79.A O no hydrogen 2.815 N/A ARG 83.A NH1 LEU 334.A O no hydrogen 3.558 N/A LEU 84.A N THR 80.A O no hydrogen 3.113 N/A VAL 85.A N LEU 81.A O no hydrogen 2.826 N/A LEU 86.A N MET 82.A O no hydrogen 3.011 N/A THR 87.A N ARG 83.A O no hydrogen 2.953 N/A THR 87.A OG1 ARG 83.A O no hydrogen 3.182 N/A THR 87.A OG1 LEU 84.A O no hydrogen 3.275 N/A VAL 88.A N LEU 84.A O no hydrogen 2.860 N/A ARG 89.A N VAL 85.A O no hydrogen 3.011 N/A ARG 89.A NH2 GLU 493.A OE2 no hydrogen 2.937 N/A SER 90.A N LEU 86.A O no hydrogen 3.203 N/A SER 90.A OG LEU 86.A O no hydrogen 2.675 N/A ASN 91.A N THR 87.A O no hydrogen 3.115 N/A LEU 92.A N ARG 89.A O no hydrogen 3.330 N/A ILE 93.A N SER 90.A O no hydrogen 2.864 N/A SER 95.A OG PRO 94.A O no hydrogen 3.468 N/A THR 98.A OG1 ARG 119.A O no hydrogen 3.531 N/A ASN 100.A N HIS 103.A O no hydrogen 3.042 N/A ALA 102.A N ASN 100.A OD1 no hydrogen 2.896 N/A HIS 103.A N ASN 100.A O no hydrogen 3.153 N/A HIS 103.A N ASN 100.A OD1 no hydrogen 2.651 N/A SER 110.A N SER 107.A OG no hydrogen 2.993 N/A SER 110.A OG THR 98.A O no hydrogen 2.868 N/A PHE 111.A N SER 107.A O no hydrogen 3.068 N/A SER 112.A N TRP 108.A O no hydrogen 2.713 N/A SER 112.A OG TRP 108.A O no hydrogen 2.904 N/A ASN 113.A N GLU 109.A O no hydrogen 2.704 N/A ASN 113.A ND2 GLU 109.A OE2 no hydrogen 2.640 N/A SER 115.A N ASN 113.A OD1 no hydrogen 3.003 N/A TYR 116.A N ASN 113.A O no hydrogen 3.503 N/A TYR 117.A N GLY 188.A O no hydrogen 2.918 N/A TYR 117.A OH THR 181.A OG1 no hydrogen 2.947 N/A THR 118.A N ILE 346.A O no hydrogen 2.857 N/A THR 118.A OG1 TYR 99.A O no hydrogen 2.830 N/A ARG 119.A N TYR 99.A O no hydrogen 3.073 N/A ARG 119.A NH1 LEU 121.A O no hydrogen 2.837 N/A ARG 119.A NH2 LEU 427.A O no hydrogen 2.507 N/A ILE 120.A N GLU 349.A OE1 no hydrogen 3.398 N/A ILE 120.A N GLU 349.A OE2 no hydrogen 2.855 N/A LEU 121.A N GLU 349.A OE2 no hydrogen 3.443 N/A SER 123.A N ASP 104.A OD1 no hydrogen 2.853 N/A SER 123.A OG ASP 104.A OD2 no hydrogen 3.090 N/A VAL 124.A N ARG 428.A O no hydrogen 2.999 N/A CYS 128.A N PRO 125.A O no hydrogen 3.173 N/A CYS 128.A SG PRO 125.A O no hydrogen 3.116 N/A THR 130.A N GLY 133.A O no hydrogen 3.229 N/A THR 130.A OG1 LYS 135.A O no hydrogen 2.774 N/A GLY 133.A N THR 130.A O no hydrogen 3.265 N/A LYS 137.A NZ GLU 462.A O no hydrogen 3.205 N/A LYS 138.A NZ PRO 129.A O no hydrogen 2.856 N/A PHE 145.A N ASP 142.A OD2 no hydrogen 3.046 N/A LEU 146.A N ASP 142.A O no hydrogen 2.981 N/A SER 147.A N ALA 143.A O no hydrogen 2.849 N/A SER 147.A OG ALA 143.A O no hydrogen 2.775 N/A ARG 148.A N GLU 144.A O no hydrogen 2.831 N/A ARG 149.A N PHE 145.A O no hydrogen 2.834 N/A ARG 149.A NH1 GLU 459.A OE1 no hydrogen 2.612 N/A ARG 149.A NH1 GLU 459.A OE2 no hydrogen 3.448 N/A PHE 150.A N LEU 146.A O no hydrogen 3.232 N/A LEU 151.A N SER 147.A O no hydrogen 3.105 N/A LEU 152.A N SER 147.A O no hydrogen 3.018 N/A ARG 153.A N ILE 409.A O no hydrogen 2.824 N/A ARG 153.A NE ASN 408.A OD1 no hydrogen 2.871 N/A ARG 153.A NH1 MET 360.A O no hydrogen 3.104 N/A ARG 153.A NH1 ASP 362.A OD1 no hydrogen 3.009 N/A ARG 153.A NH2 MET 360.A O no hydrogen 3.122 N/A ARG 153.A NH2 ASN 408.A OD1 no hydrogen 3.229 N/A ARG 154.A NE LEU 152.A O no hydrogen 3.236 N/A ARG 154.A NH1 ARG 149.A O no hydrogen 3.333 N/A ARG 154.A NH2 ARG 149.A O no hydrogen 3.348 N/A ILE 157.A N ASN 408.A OD1 no hydrogen 2.785 N/A ASP 159.A N ALA 400.A O no hydrogen 2.906 N/A GLN 161.A N ASP 159.A OD1 no hydrogen 2.913 N/A GLN 161.A NE2 LEU 321.A O no hydrogen 3.173 N/A GLY 162.A N ASP 159.A O no hydrogen 3.229 N/A THR 163.A N ASP 159.A OD2 no hydrogen 2.979 N/A THR 163.A OG1 ASP 159.A OD2 no hydrogen 2.575 N/A ASN 164.A N PHE 549.A O no hydrogen 3.332 N/A ASN 164.A ND2 SER 396.A O no hydrogen 2.716 N/A ASN 164.A ND2 SER 548.A O no hydrogen 2.917 N/A LEU 165.A N PHE 395.A O no hydrogen 3.084 N/A LEU 165.A N GLN 398.A O no hydrogen 3.066 N/A MET 166.A N PHE 395.A O no hydrogen 3.220 N/A PHE 167.A N ASN 164.A OD1 no hydrogen 3.089 N/A ALA 168.A N ASN 164.A O no hydrogen 3.086 N/A PHE 169.A N LEU 165.A O no hydrogen 2.852 N/A PHE 170.A N MET 166.A O no hydrogen 3.120 N/A ALA 171.A N PHE 167.A O no hydrogen 2.921 N/A GLN 172.A N ALA 168.A O no hydrogen 3.202 N/A HIS 173.A N PHE 169.A O no hydrogen 2.878 N/A PHE 174.A N PHE 170.A O no hydrogen 2.806 N/A THR 175.A N ALA 171.A O no hydrogen 2.973 N/A THR 175.A OG1 ALA 171.A O no hydrogen 2.721 N/A THR 175.A OG1 GLN 172.A O no hydrogen 3.346 N/A THR 175.A OG1 HIS 176.A ND1 no hydrogen 3.181 N/A HIS 176.A N GLN 172.A O no hydrogen 3.202 N/A HIS 176.A N HIS 173.A O no hydrogen 3.230 N/A HIS 176.A ND1 THR 175.A OG1 no hydrogen 3.181 N/A GLN 177.A N PHE 174.A O no hydrogen 3.134 N/A PHE 178.A N THR 175.A O no hydrogen 3.310 N/A PHE 179.A N THR 175.A O no hydrogen 3.045 N/A LYS 180.A N TYR 117.A OH no hydrogen 3.044 N/A LYS 180.A NZ ASP 205.A OD2 no hydrogen 3.009 N/A LYS 180.A NZ GLU 259.A OE1 no hydrogen 3.553 N/A THR 181.A OG1 TYR 117.A OH no hydrogen 2.947 N/A SER 182.A N PHE 189.A O no hydrogen 2.699 N/A MET 185.A N SER 182.A OG no hydrogen 3.166 N/A GLY 186.A N SER 182.A O no hydrogen 3.004 N/A PHE 189.A N GLY 186.A O no hydrogen 3.365 N/A THR 190.A N SER 115.A O no hydrogen 2.797 N/A THR 190.A OG1 LYS 180.A O no hydrogen 3.505 N/A LYS 191.A N LYS 180.A O no hydrogen 2.789 N/A ALA 192.A N THR 190.A OG1 no hydrogen 2.942 N/A HIS 195.A N ALA 192.A O no hydrogen 3.098 N/A HIS 195.A NE2 VAL 114.A O no hydrogen 2.591 N/A ASP 198.A N GLY 196.A O no hydrogen 2.910 N/A GLY 200.A N ASP 198.A OD1 no hydrogen 2.880 N/A ILE 202.A N LEU 199.A O no hydrogen 3.121 N/A TYR 203.A N LEU 199.A O no hydrogen 3.221 N/A TYR 203.A OH HIS 278.A ND1 no hydrogen 2.602 N/A GLY 204.A N GLY 200.A O no hydrogen 2.847 N/A ARG 209.A NE GLY 257.A O no hydrogen 2.774 N/A ARG 209.A NH1 LEU 241.A O no hydrogen 2.878 N/A ARG 209.A NH2 LEU 241.A O no hydrogen 2.841 N/A ARG 209.A NH2 VAL 256.A O no hydrogen 3.020 N/A ARG 209.A NH2 GLY 257.A O no hydrogen 3.457 N/A GLN 210.A N ASN 206.A O no hydrogen 3.110 N/A TYR 211.A N LEU 207.A O no hydrogen 2.959 N/A GLN 212.A N GLU 208.A O no hydrogen 3.040 N/A LEU 213.A N ARG 209.A O no hydrogen 3.097 N/A LEU 213.A N GLN 210.A O no hydrogen 3.073 N/A ARG 214.A NH1 GLU 295.A OE2 no hydrogen 2.609 N/A ARG 214.A NH2 GLU 295.A OE2 no hydrogen 2.949 N/A LEU 215.A N LYS 220.A O no hydrogen 2.973 N/A GLY 219.A N ASP 294.A OD1 no hydrogen 2.741 N/A LYS 220.A N LYS 217.A O no hydrogen 2.834 N/A LYS 220.A NZ ASP 283.A OD1 no hydrogen 2.942 N/A LYS 220.A NZ ASP 283.A OD2 no hydrogen 3.397 N/A LEU 221.A N ASN 279.A OD1 no hydrogen 2.873 N/A LYS 222.A N LEU 213.A O no hydrogen 2.888 N/A LYS 222.A NZ GLN 212.A O no hydrogen 2.922 N/A LYS 222.A NZ GLU 237.A O no hydrogen 3.111 N/A GLN 224.A N TYR 231.A O no hydrogen 2.748 N/A GLN 224.A NE2 PRO 232.A O no hydrogen 2.658 N/A LEU 226.A N GLU 229.A O no hydrogen 2.708 N/A ASN 227.A ND2 VAL 384.A O no hydrogen 3.163 N/A GLU 229.A N LEU 226.A O no hydrogen 2.761 N/A TYR 231.A N GLN 224.A O no hydrogen 2.683 N/A VAL 235.A N PRO 250.A O no hydrogen 3.163 N/A VAL 235.A N GLN 253.A O no hydrogen 2.832 N/A GLU 236.A N SER 234.A OG no hydrogen 3.266 N/A GLU 237.A N SER 234.A OG no hydrogen 3.024 N/A ALA 238.A N SER 234.A O no hydrogen 2.883 N/A HIS 243.A N GLU 259.A O no hydrogen 2.800 N/A ILE 248.A N PRO 245.A O no hydrogen 3.070 N/A GLN 251.A N GLN 251.A OE1 no hydrogen 2.865 N/A SER 252.A N PRO 249.A O no hydrogen 2.663 N/A GLN 253.A N PRO 250.A O no hydrogen 2.987 N/A GLN 253.A NE2 ILE 248.A O no hydrogen 2.428 N/A MET 254.A N TYR 244.A OH no hydrogen 3.219 N/A ALA 255.A N PRO 233.A O no hydrogen 2.785 N/A GLN 258.A NE2 HIS 176.A O no hydrogen 2.802 N/A VAL 260.A N GLN 258.A OE1 no hydrogen 3.174 N/A PHE 261.A N GLN 258.A O no hydrogen 3.120 N/A LEU 263.A N VAL 260.A O no hydrogen 3.272 N/A LEU 267.A N LEU 264.A O no hydrogen 2.975 N/A MET 268.A N LEU 264.A O no hydrogen 3.150 N/A LEU 269.A N PRO 265.A O no hydrogen 2.814 N/A TYR 270.A N GLY 266.A O no hydrogen 3.429 N/A TYR 270.A OH MET 166.A O no hydrogen 2.635 N/A ALA 271.A N LEU 267.A O no hydrogen 2.916 N/A THR 272.A N MET 268.A O no hydrogen 3.116 N/A THR 272.A OG1 MET 268.A O no hydrogen 2.820 N/A ILE 273.A N LEU 269.A O no hydrogen 3.064 N/A TRP 274.A N TYR 270.A O no hydrogen 3.155 N/A LEU 275.A N ALA 271.A O no hydrogen 3.041 N/A ARG 276.A N THR 272.A O no hydrogen 2.910 N/A ARG 276.A NE ASN 540.A O no hydrogen 3.042 N/A ARG 276.A NH1 VAL 230.A O no hydrogen 2.560 N/A ARG 276.A NH2 ASN 540.A O no hydrogen 3.121 N/A GLU 277.A N ILE 273.A O no hydrogen 2.796 N/A HIS 278.A N TRP 274.A O no hydrogen 2.805 N/A HIS 278.A ND1 TYR 203.A OH no hydrogen 2.602 N/A HIS 278.A NE2 GLY 219.A O no hydrogen 2.854 N/A ASN 279.A N LEU 275.A O no hydrogen 3.323 N/A ASN 279.A ND2 LEU 221.A O no hydrogen 3.092 N/A ARG 280.A N ARG 276.A O no hydrogen 3.132 N/A ARG 280.A NH1 GLU 277.A OE1 no hydrogen 2.799 N/A VAL 281.A N GLU 277.A O no hydrogen 3.176 N/A CYS 282.A N HIS 278.A O no hydrogen 2.906 N/A CYS 282.A SG ASP 218.A O no hydrogen 3.424 N/A CYS 282.A SG HIS 278.A NE2 no hydrogen 3.663 N/A CYS 282.A SG HIS 278.A O no hydrogen 3.557 N/A ASP 283.A N ASN 279.A O no hydrogen 3.089 N/A LEU 284.A N ARG 280.A O no hydrogen 3.261 N/A LEU 285.A N VAL 281.A O no hydrogen 3.098 N/A LYS 286.A N CYS 282.A O no hydrogen 3.145 N/A LYS 286.A NZ TRP 292.A O no hydrogen 3.427 N/A ALA 287.A N ASP 283.A O no hydrogen 3.146 N/A HIS 289.A N LEU 285.A O no hydrogen 2.670 N/A HIS 289.A NE2 GLY 520.A O no hydrogen 2.622 N/A TRP 292.A N HIS 289.A O no hydrogen 2.927 N/A LEU 297.A N GLY 293.A O no hydrogen 3.087 N/A PHE 298.A N ASP 294.A O no hydrogen 2.714 N/A GLN 299.A N GLU 295.A O no hydrogen 2.694 N/A GLN 299.A NE2 GLU 295.A OE1 no hydrogen 3.396 N/A THR 300.A N GLN 296.A O no hydrogen 2.987 N/A THR 300.A OG1 GLN 296.A O no hydrogen 2.674 N/A ALA 301.A N LEU 297.A O no hydrogen 2.800 N/A ARG 302.A N PHE 298.A O no hydrogen 2.954 N/A ARG 302.A NE ASP 198.A O no hydrogen 3.215 N/A ARG 302.A NH2 ASP 198.A O no hydrogen 2.769 N/A LEU 303.A N GLN 299.A O no hydrogen 3.235 N/A ILE 304.A N THR 300.A O no hydrogen 3.181 N/A LEU 305.A N ALA 301.A O no hydrogen 3.112 N/A ILE 306.A N ARG 302.A O no hydrogen 3.044 N/A GLY 307.A N LEU 303.A O no hydrogen 3.114 N/A GLU 308.A N ILE 304.A O no hydrogen 2.861 N/A THR 309.A N LEU 305.A O no hydrogen 2.748 N/A THR 309.A OG1 LEU 305.A O no hydrogen 2.886 N/A ILE 310.A N ILE 306.A O no hydrogen 2.952 N/A LYS 311.A N GLY 307.A O no hydrogen 3.061 N/A LYS 311.A N GLU 308.A O no hydrogen 3.240 N/A LYS 311.A NZ GLU 315.A OE1 no hydrogen 2.945 N/A LYS 311.A NZ GLU 315.A OE2 no hydrogen 3.180 N/A ILE 312.A N GLU 308.A O no hydrogen 3.120 N/A VAL 313.A N THR 309.A O no hydrogen 2.999 N/A ILE 314.A N ILE 310.A O no hydrogen 3.352 N/A GLU 315.A N LYS 311.A O no hydrogen 2.923 N/A GLU 316.A N ILE 312.A O no hydrogen 3.003 N/A TYR 317.A N ILE 312.A O no hydrogen 3.018 N/A TYR 317.A OH TYR 354.A OH no hydrogen 2.782 N/A VAL 318.A N VAL 313.A O no hydrogen 2.699 N/A GLN 319.A NE2 TYR 324.A O no hydrogen 3.233 N/A GLN 319.A NE2 LEU 326.A O no hydrogen 3.072 N/A GLN 320.A N GLU 316.A O no hydrogen 2.897 N/A GLN 320.A NE2 GLN 161.A O no hydrogen 3.329 N/A GLN 320.A NE2 THR 163.A OG1 no hydrogen 2.963 N/A LEU 321.A N TYR 317.A O no hydrogen 3.044 N/A SER 322.A N VAL 318.A O no hydrogen 2.951 N/A SER 322.A OG VAL 318.A O no hydrogen 2.831 N/A SER 322.A OG GLN 319.A O no hydrogen 2.972 N/A GLY 323.A N GLN 319.A O no hydrogen 2.960 N/A TYR 324.A N SER 322.A OG no hydrogen 3.279 N/A PHE 325.A N LEU 62.A O no hydrogen 2.705 N/A GLN 327.A N ASN 73.A OD1 no hydrogen 2.644 N/A LEU 328.A N GLN 319.A OE1 no hydrogen 2.853 N/A LYS 329.A NZ ASP 79.A OD1 no hydrogen 2.782 N/A LYS 329.A NZ ASP 79.A OD2 no hydrogen 3.067 N/A LYS 329.A NZ ASP 331.A OD2 no hydrogen 3.551 N/A PHE 330.A N GLU 315.A OE2 no hydrogen 2.834 N/A LEU 334.A N ASP 331.A O no hydrogen 3.038 N/A LEU 335.A N PRO 332.A O no hydrogen 3.233 N/A PHE 336.A N GLU 333.A O no hydrogen 3.062 N/A ALA 338.A N LEU 335.A O no hydrogen 3.081 N/A ARG 343.A N GLN 341.A O no hydrogen 2.734 N/A ARG 345.A NH2 SER 110.A O no hydrogen 3.273 N/A ARG 345.A NH2 PHE 111.A O no hydrogen 2.546 N/A ILE 346.A N HIS 195.A ND1 no hydrogen 3.098 N/A MET 348.A N THR 118.A O no hydrogen 2.757 N/A GLU 349.A N GLU 349.A OE1 no hydrogen 2.751 N/A PHE 350.A N ALA 347.A O no hydrogen 3.140 N/A ASN 351.A N ALA 347.A O no hydrogen 3.369 N/A GLN 352.A N MET 348.A O no hydrogen 3.125 N/A GLN 352.A NE2 VAL 420.A O no hydrogen 3.607 N/A LEU 353.A N GLU 349.A O no hydrogen 3.108 N/A TYR 354.A N PHE 350.A O no hydrogen 3.133 N/A TYR 354.A OH TYR 317.A OH no hydrogen 2.782 N/A HIS 355.A N GLN 352.A O no hydrogen 2.961 N/A HIS 355.A ND1 ASN 351.A O no hydrogen 2.658 N/A HIS 355.A ND1 GLN 352.A O no hydrogen 3.027 N/A LEU 359.A N TRP 356.A O no hydrogen 3.054 N/A MET 360.A N HIS 357.A O no hydrogen 3.227 N/A SER 363.A OG ASP 370.A OD1 no hydrogen 3.387 N/A SER 363.A OG ASP 370.A OD2 no hydrogen 3.432 N/A PHE 364.A N TYR 371.A O no hydrogen 2.785 N/A ARG 365.A N GLN 398.A OE1 no hydrogen 3.121 N/A VAL 366.A N GLN 369.A O no hydrogen 2.702 N/A TYR 371.A N PHE 364.A O no hydrogen 2.753 N/A TYR 371.A OH TYR 386.A OH no hydrogen 2.782 N/A SER 372.A N GLN 375.A OE1 no hydrogen 3.223 N/A TYR 373.A OH PRO 361.A O no hydrogen 2.404 N/A GLN 375.A N SER 372.A O no hydrogen 2.906 N/A GLN 375.A N SER 372.A OG no hydrogen 3.111 N/A PHE 376.A N SER 372.A O no hydrogen 2.692 N/A LEU 377.A N TYR 373.A O no hydrogen 2.731 N/A PHE 378.A N LEU 263.A O no hydrogen 3.313 N/A ASN 379.A N PHE 376.A O no hydrogen 3.164 N/A ASN 379.A ND2 GLN 375.A O no hydrogen 2.892 N/A SER 381.A N ASN 379.A OD1 no hydrogen 3.011 N/A SER 381.A OG ASN 379.A OD1 no hydrogen 3.325 N/A MET 382.A N ASN 379.A OD1 no hydrogen 2.600 N/A ASP 385.A N SER 381.A O no hydrogen 3.092 N/A TYR 386.A N MET 382.A O no hydrogen 3.080 N/A TYR 386.A OH TYR 371.A OH no hydrogen 2.782 N/A GLY 387.A N LEU 383.A O no hydrogen 2.582 N/A GLU 389.A N GLU 389.A OE1 no hydrogen 2.915 N/A LEU 391.A N GLY 387.A O no hydrogen 3.286 N/A VAL 392.A N VAL 388.A O no hydrogen 2.869 N/A ASP 393.A N GLU 389.A O no hydrogen 3.019 N/A ALA 394.A N ALA 390.A O no hydrogen 3.296 N/A PHE 395.A N LEU 391.A O no hydrogen 2.917 N/A SER 396.A N VAL 392.A O no hydrogen 2.921 N/A SER 396.A OG VAL 392.A O no hydrogen 2.726 N/A SER 396.A OG TYR 546.A O no hydrogen 3.228 N/A SER 396.A OG SER 548.A O no hydrogen 3.485 N/A ARG 397.A N ALA 394.A O no hydrogen 2.993 N/A ARG 397.A NE ASP 393.A OD1 no hydrogen 2.656 N/A ARG 397.A NH2 ASP 393.A OD2 no hydrogen 3.171 N/A GLN 398.A N ALA 394.A O no hydrogen 3.105 N/A GLN 398.A NE2 SER 363.A O no hydrogen 2.891 N/A ALA 400.A N THR 163.A O no hydrogen 2.929 N/A GLY 401.A N LEU 359.A O no hydrogen 2.875 N/A ARG 402.A N ILE 157.A O no hydrogen 2.770 N/A ILE 403.A N ILE 486.A O no hydrogen 2.996 N/A GLY 404.A N ILE 486.A O no hydrogen 2.764 N/A ARG 407.A N PHE 150.A O no hydrogen 2.541 N/A ARG 407.A NE ARG 149.A O no hydrogen 2.808 N/A ARG 407.A NH2 ARG 149.A O no hydrogen 3.419 N/A ASN 408.A ND2 ILE 157.A O no hydrogen 2.817 N/A ASN 408.A ND2 ARG 402.A O no hydrogen 2.915 N/A ILE 409.A N LEU 151.A O no hydrogen 3.067 N/A HIS 412.A N ASP 410.A OD1 no hydrogen 2.759 N/A HIS 412.A ND1 ASP 410.A OD1 no hydrogen 2.805 N/A ILE 413.A N ASP 410.A O no hydrogen 3.152 N/A VAL 416.A N ILE 413.A O no hydrogen 3.022 N/A VAL 418.A N LEU 414.A O no hydrogen 3.321 N/A ASP 419.A N HIS 415.A O no hydrogen 2.973 N/A VAL 420.A N VAL 416.A O no hydrogen 2.834 N/A ILE 421.A N ALA 417.A O no hydrogen 3.205 N/A LYS 422.A N VAL 418.A O no hydrogen 3.086 N/A GLU 423.A N ASP 419.A O no hydrogen 2.893 N/A SER 424.A N VAL 420.A O no hydrogen 2.988 N/A ARG 425.A N ILE 421.A O no hydrogen 3.375 N/A ARG 425.A N LYS 422.A O no hydrogen 3.250 N/A ARG 425.A NE GLU 471.A OE1 no hydrogen 3.122 N/A ARG 425.A NE GLU 471.A OE2 no hydrogen 3.137 N/A ARG 425.A NH1 PRO 141.A O no hydrogen 3.111 N/A ARG 425.A NH2 PRO 141.A O no hydrogen 2.773 N/A ARG 425.A NH2 GLU 471.A OE2 no hydrogen 2.801 N/A VAL 426.A N LYS 422.A O no hydrogen 3.245 N/A LEU 427.A N GLU 423.A O no hydrogen 2.854 N/A ARG 428.A NE VAL 124.A O no hydrogen 2.706 N/A ARG 428.A NH2 VAL 124.A O no hydrogen 3.070 N/A ARG 428.A NH2 PRO 125.A O no hydrogen 3.060 N/A LEU 429.A N SER 424.A O no hydrogen 3.053 N/A GLN 430.A NE2 PRO 122.A O no hydrogen 2.991 N/A PHE 432.A N LEU 470.A O no hydrogen 2.755 N/A ASN 433.A ND2 TYR 444.A O no hydrogen 2.950 N/A ASN 433.A ND2 ASP 468.A OD1 no hydrogen 2.937 N/A GLU 434.A N PRO 431.A O no hydrogen 2.903 N/A TYR 435.A N PRO 431.A O no hydrogen 3.408 N/A TYR 435.A OH GLU 349.A OE2 no hydrogen 2.688 N/A ARG 436.A N PHE 432.A O no hydrogen 2.975 N/A ARG 436.A NE LYS 442.A O no hydrogen 3.189 N/A ARG 436.A NH1 GLU 489.A OE1 no hydrogen 2.740 N/A ARG 436.A NH1 SER 490.A OG no hydrogen 2.839 N/A ARG 436.A NH2 LYS 442.A O no hydrogen 2.860 N/A ARG 436.A NH2 GLU 489.A OE1 no hydrogen 3.059 N/A LYS 437.A N ASN 433.A O no hydrogen 3.228 N/A LYS 437.A NZ GLU 434.A OE1 no hydrogen 3.499 N/A LYS 437.A NZ GLU 434.A OE2 no hydrogen 2.922 N/A ARG 438.A N GLU 434.A O no hydrogen 2.896 N/A ARG 438.A NE ARG 438.A O no hydrogen 2.773 N/A PHE 439.A N TYR 435.A O no hydrogen 2.938 N/A PHE 439.A N ARG 436.A O no hydrogen 3.237 N/A GLY 440.A N LYS 437.A O no hydrogen 2.826 N/A MET 441.A N ARG 436.A O no hydrogen 2.823 N/A TYR 444.A N ASN 433.A OD1 no hydrogen 2.707 N/A TYR 444.A OH GLU 479.A OE2 no hydrogen 2.566 N/A THR 445.A N GLU 449.A OE1 no hydrogen 2.659 N/A THR 445.A OG1 GLU 449.A OE1 no hydrogen 2.576 N/A GLU 449.A N SER 446.A OG no hydrogen 3.095 N/A LEU 450.A N SER 446.A O no hydrogen 3.334 N/A THR 451.A N PHE 447.A O no hydrogen 3.026 N/A THR 451.A OG1 PHE 447.A O no hydrogen 3.285 N/A THR 451.A OG1 GLU 453.A O no hydrogen 3.156 N/A THR 451.A OG1 GLU 453.A OE2 no hydrogen 3.097 N/A GLY 452.A N GLN 448.A O no hydrogen 2.696 N/A GLU 453.A N THR 451.A OG1 no hydrogen 3.245 N/A MET 456.A N GLU 453.A OE1 no hydrogen 3.071 N/A ALA 457.A N GLU 453.A OE2 no hydrogen 2.745 N/A ALA 458.A N LYS 454.A O no hydrogen 3.209 N/A GLU 459.A N GLU 455.A O no hydrogen 3.374 N/A LEU 460.A N MET 456.A O no hydrogen 2.828 N/A GLU 461.A N ALA 457.A O no hydrogen 2.854 N/A GLU 462.A N ALA 458.A O no hydrogen 3.118 N/A LEU 463.A N GLU 459.A O no hydrogen 3.008 N/A LEU 463.A N LEU 460.A O no hydrogen 2.997 N/A TYR 464.A N LEU 460.A O no hydrogen 2.759 N/A TYR 464.A OH GLU 471.A OE2 no hydrogen 2.976 N/A GLY 465.A N GLU 461.A O no hydrogen 2.906 N/A ASP 468.A N ASP 466.A OD1 no hydrogen 3.112 N/A ALA 469.A N ASP 466.A O no hydrogen 2.923 N/A LEU 470.A N ILE 467.A O no hydrogen 2.940 N/A TYR 473.A OH HIS 355.A O no hydrogen 2.834 N/A GLY 475.A N GLU 471.A O no hydrogen 2.985 N/A LEU 476.A N PHE 472.A O no hydrogen 3.140 N/A LEU 477.A N TYR 473.A O no hydrogen 3.122 N/A LEU 478.A N PRO 474.A O no hydrogen 2.847 N/A GLU 479.A N GLY 475.A O no hydrogen 3.117 N/A LYS 480.A N LEU 450.A O no hydrogen 3.038 N/A LYS 480.A NZ GLU 449.A O no hydrogen 2.707 N/A HIS 482.A N PHE 487.A O no hydrogen 3.282 N/A SER 485.A N HIS 482.A O no hydrogen 2.963 N/A SER 485.A OG PRO 483.A O no hydrogen 3.137 N/A ILE 486.A N GLN 161.A OE1 no hydrogen 2.846 N/A SER 490.A N GLU 479.A OE1 no hydrogen 3.016 N/A SER 490.A OG GLU 479.A OE1 no hydrogen 3.247 N/A SER 490.A OG GLU 479.A OE2 no hydrogen 2.682 N/A ILE 492.A N GLU 489.A O no hydrogen 3.181 N/A GLU 493.A N GLU 489.A O no hydrogen 2.972 N/A MET 494.A N SER 490.A O no hydrogen 2.830 N/A GLY 495.A N MET 491.A O no hydrogen 2.960 N/A ALA 496.A N ILE 492.A O no hydrogen 2.827 N/A SER 499.A N GLY 495.A O no hydrogen 2.921 N/A LEU 500.A N ALA 496.A O no hydrogen 2.731 N/A LYS 501.A N PRO 497.A O no hydrogen 3.066 N/A LYS 501.A NZ GLN 341.A O no hydrogen 3.198 N/A GLY 502.A N PHE 498.A O no hydrogen 3.275 N/A LEU 503.A N SER 499.A O no hydrogen 3.208 N/A LEU 503.A N LEU 500.A O no hydrogen 3.207 N/A LEU 504.A N LEU 500.A O no hydrogen 2.903 N/A GLY 505.A N LYS 501.A O no hydrogen 2.650 N/A ASN 506.A N LEU 503.A O no hydrogen 3.465 N/A ASN 506.A ND2 VAL 197.A O no hydrogen 3.113 N/A ILE 508.A N ASN 506.A OD1 no hydrogen 3.097 N/A CYS 509.A N ASN 506.A O no hydrogen 2.827 N/A CYS 509.A SG LEU 503.A O no hydrogen 3.748 N/A SER 510.A N PRO 507.A O no hydrogen 3.078 N/A SER 510.A OG PRO 507.A O no hydrogen 2.736 N/A TYR 513.A N SER 510.A O no hydrogen 3.061 N/A TYR 513.A N SER 510.A OG no hydrogen 3.375 N/A TRP 514.A N SER 510.A O no hydrogen 2.888 N/A LYS 515.A N TYR 513.A O no hydrogen 2.660 N/A THR 518.A N LYS 515.A O no hydrogen 2.977 N/A THR 518.A OG1 TYR 513.A O no hydrogen 2.524 N/A PHE 519.A N ALA 516.A O no hydrogen 3.039 N/A GLY 520.A N SER 517.A O no hydrogen 3.081 N/A GLY 521.A N ALA 516.A O no hydrogen 3.035 N/A PHE 525.A N GLY 521.A O no hydrogen 3.127 N/A ASN 526.A N GLU 522.A O no hydrogen 2.749 N/A ASN 526.A N VAL 523.A O no hydrogen 3.255 N/A ASN 526.A ND2 GLU 522.A OE1 no hydrogen 3.521 N/A LEU 527.A N VAL 523.A O no hydrogen 3.165 N/A VAL 528.A N GLY 524.A O no hydrogen 3.286 N/A LYS 529.A N PHE 525.A O no hydrogen 2.991 N/A THR 530.A N ASN 526.A O no hydrogen 2.673 N/A THR 530.A OG1 ASN 526.A O no hydrogen 2.724 N/A ALA 531.A N VAL 528.A O no hydrogen 3.188 N/A THR 532.A OG1 ALA 531.A O no hydrogen 3.197 N/A LEU 533.A N GLU 316.A OE1 no hydrogen 2.975 N/A LEU 533.A N GLU 316.A OE2 no hydrogen 3.238 N/A LYS 535.A NZ THR 530.A O no hydrogen 3.565 N/A LYS 535.A NZ THR 530.A OG1 no hydrogen 3.003 N/A LEU 536.A N THR 532.A O no hydrogen 2.858 N/A VAL 537.A N LEU 533.A O no hydrogen 3.092 N/A CYS 538.A N LYS 534.A O no hydrogen 2.686 N/A LEU 539.A N LYS 535.A O no hydrogen 2.900 N/A ASN 540.A N VAL 537.A O no hydrogen 2.836 N/A ASN 540.A ND2 GLU 277.A OE1 no hydrogen 3.039 N/A ASN 540.A ND2 LEU 536.A O no hydrogen 2.639 N/A THR 541.A N CYS 538.A O no hydrogen 3.437 N/A THR 541.A OG1 VAL 537.A O no hydrogen 3.096 N/A THR 541.A OG1 THR 543.A O no hydrogen 2.769 N/A LYS 542.A NZ GLU 229.A OE1 no hydrogen 3.259 N/A THR 543.A N GLU 389.A OE2 no hydrogen 3.144 N/A THR 543.A OG1 GLU 389.A OE2 no hydrogen 3.520 N/A CYS 544.A SG PRO 545.A O no hydrogen 3.959 N/A TYR 546.A N ASP 393.A OD2 no hydrogen 3.248 N/A TYR 546.A OH HIS 550.A O no hydrogen 2.652 N/A SER 548.A N SER 396.A OG no hydrogen 3.325 N/A SER 548.A OG HIS 550.A O no hydrogen 3.242 N/A HIS 550.A N SER 548.A OG no hydrogen 3.050 N/A HIS 550.A ND1 VAL 551.A O no hydrogen 2.488 N/A VAL 551.A N GLY 162.A O no hydrogen 2.661 N/A