Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dwb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N SER 1.A O no hydrogen 2.547 N/A SER 6.A N GLU 2.A O no hydrogen 2.940 N/A SER 6.A OG GLU 2.A O no hydrogen 2.983 N/A SER 6.A OG ALA 3.A O no hydrogen 2.812 N/A VAL 7.A N ALA 3.A O no hydrogen 2.984 N/A THR 8.A N CYS 4.A O no hydrogen 2.673 N/A THR 8.A OG1 CYS 4.A O no hydrogen 2.667 N/A SER 9.A N VAL 5.A O no hydrogen 3.101 N/A SER 9.A OG VAL 5.A O no hydrogen 2.941 N/A SER 10.A N SER 6.A O no hydrogen 3.213 N/A SER 10.A OG SER 6.A O no hydrogen 3.043 N/A ILE 11.A N VAL 7.A O no hydrogen 3.028 N/A LEU 12.A N THR 8.A O no hydrogen 2.738 N/A SER 13.A N SER 9.A O no hydrogen 2.618 N/A SER 13.A OG SER 9.A O no hydrogen 2.924 N/A SER 14.A N SER 10.A O no hydrogen 3.206 N/A SER 14.A OG SER 10.A O no hydrogen 2.824 N/A MET 15.A N LEU 12.A O no hydrogen 3.232 N/A ASP 16.A N TYR 28.A O no hydrogen 2.853 N/A THR 18.A N ASP 16.A OD1 no hydrogen 3.321 N/A VAL 19.A N ASP 16.A O no hydrogen 2.868 N/A CYS 22.A N ASP 20.A OD1 no hydrogen 3.254 N/A CYS 22.A SG PHE 643.A O no hydrogen 3.236 N/A HIS 23.A N ASP 20.A O no hydrogen 2.760 N/A ASP 24.A N ASP 20.A O no hydrogen 3.132 N/A SER 27.A N ASP 24.A OD2 no hydrogen 2.503 N/A SER 27.A OG ASP 24.A OD1 no hydrogen 2.929 N/A SER 27.A OG ASP 24.A OD2 no hydrogen 2.938 N/A TYR 28.A N ASP 24.A O no hydrogen 3.196 N/A ALA 29.A N PHE 25.A O no hydrogen 2.897 N/A ALA 29.A N PHE 26.A O no hydrogen 3.005 N/A CYS 30.A N PHE 26.A O no hydrogen 2.636 N/A CYS 30.A SG ALA 601.A O no hydrogen 3.460 N/A GLY 31.A N SER 27.A O no hydrogen 2.638 N/A TRP 33.A N SER 14.A O no hydrogen 2.964 N/A ILE 34.A N CYS 30.A O no hydrogen 2.741 N/A LYS 35.A N GLY 31.A O no hydrogen 3.184 N/A ALA 36.A N GLY 32.A O no hydrogen 3.072 N/A ASN 37.A N TRP 33.A O no hydrogen 2.710 N/A HIS 43.A NE2 GLU 54.A OE2 no hydrogen 2.960 N/A TRP 46.A N VAL 607.A O no hydrogen 2.780 N/A THR 48.A OG1 VAL 603.A O no hydrogen 2.397 N/A SER 50.A OG ARG 45.A O no hydrogen 3.035 N/A ASN 51.A N GLY 47.A O no hydrogen 3.123 N/A LEU 52.A N THR 48.A O no hydrogen 3.039 N/A TRP 53.A N PHE 49.A O no hydrogen 3.120 N/A GLU 54.A N SER 50.A O no hydrogen 3.460 N/A HIS 55.A N ASN 51.A O no hydrogen 3.265 N/A ASN 56.A N LEU 52.A O no hydrogen 3.033 N/A GLN 57.A N TRP 53.A O no hydrogen 3.027 N/A ALA 58.A N GLU 54.A O no hydrogen 3.373 N/A ILE 59.A N ASN 56.A O no hydrogen 2.794 N/A ILE 60.A N ASN 56.A O no hydrogen 3.009 N/A ILE 60.A N GLN 57.A O no hydrogen 2.728 N/A LYS 61.A N GLN 57.A O no hydrogen 3.161 N/A LEU 63.A N ILE 59.A O no hydrogen 3.280 N/A LEU 64.A N ILE 60.A O no hydrogen 2.896 N/A GLU 65.A N LYS 61.A O no hydrogen 2.742 N/A ASN 66.A ND2 THR 68.A OG1 no hydrogen 2.719 N/A THR 68.A OG1 SER 70.A OG no hydrogen 3.194 N/A SER 70.A OG THR 68.A OG1 no hydrogen 3.194 N/A SER 72.A OG GLU 75.A OE2 no hydrogen 3.003 N/A ALA 74.A N ASP 407.A OD1 no hydrogen 3.098 N/A GLU 75.A N SER 72.A OG no hydrogen 3.328 N/A ARG 76.A N SER 72.A O no hydrogen 2.423 N/A LYS 77.A N GLU 73.A O no hydrogen 2.622 N/A LYS 77.A NZ PHE 410.A O no hydrogen 2.924 N/A LYS 77.A NZ TYR 413.A O no hydrogen 2.831 N/A ALA 78.A N ALA 74.A O no hydrogen 3.270 N/A ALA 78.A N GLU 75.A O no hydrogen 3.235 N/A GLN 79.A N GLU 75.A O no hydrogen 3.227 N/A GLN 79.A NE2 LEU 63.A O no hydrogen 3.652 N/A GLN 79.A NE2 LEU 64.A O no hydrogen 3.465 N/A VAL 80.A N ARG 76.A O no hydrogen 3.084 N/A TYR 81.A N LYS 77.A O no hydrogen 2.823 N/A TYR 81.A OH ASP 328.A OD2 no hydrogen 2.677 N/A TYR 82.A N ALA 78.A O no hydrogen 2.815 N/A TYR 82.A OH GLU 65.A OE1 no hydrogen 2.994 N/A ARG 83.A N GLN 79.A O no hydrogen 2.877 N/A ALA 84.A N VAL 80.A O no hydrogen 2.885 N/A CYS 85.A N TYR 81.A O no hydrogen 3.221 N/A CYS 85.A SG TYR 81.A O no hydrogen 3.611 N/A CYS 85.A SG TYR 82.A O no hydrogen 2.934 N/A MET 86.A N TYR 82.A O no hydrogen 2.893 N/A ASN 87.A N ARG 83.A O no hydrogen 2.797 N/A GLU 92.A N GLU 88.A O no hydrogen 3.067 N/A GLU 93.A N ARG 90.A O no hydrogen 3.189 N/A LEU 94.A N ARG 90.A O no hydrogen 3.192 N/A ARG 95.A N ILE 91.A O no hydrogen 3.385 N/A LYS 97.A N LEU 94.A O no hydrogen 3.278 N/A MET 100.A N ALA 96.A O no hydrogen 2.626 N/A GLU 101.A N LYS 97.A O no hydrogen 2.598 N/A LEU 102.A N PRO 98.A O no hydrogen 2.957 N/A ILE 103.A N LEU 99.A O no hydrogen 3.012 N/A GLU 104.A N GLU 101.A O no hydrogen 2.898 N/A ARG 105.A N GLU 101.A O no hydrogen 3.440 N/A LEU 106.A N LEU 102.A O no hydrogen 3.222 N/A GLY 107.A N GLU 104.A O no hydrogen 2.711 N/A GLY 108.A N ILE 103.A O no hydrogen 2.816 N/A THR 112.A N TRP 109.A O no hydrogen 2.518 N/A THR 112.A OG1 TRP 109.A O no hydrogen 3.524 N/A THR 112.A OG1 THR 112.A O no hydrogen 2.429 N/A LYS 117.A NZ GLY 107.A O no hydrogen 2.751 N/A GLN 121.A NE2 ASN 247.A O no hydrogen 2.739 N/A THR 123.A N ASN 119.A O no hydrogen 3.007 N/A THR 123.A OG1 ASN 119.A O no hydrogen 2.851 N/A THR 123.A OG1 PHE 120.A O no hydrogen 3.235 N/A LEU 124.A N PHE 120.A O no hydrogen 2.829 N/A GLN 125.A N GLN 121.A O no hydrogen 2.658 N/A VAL 126.A N ASP 122.A O no hydrogen 3.005 N/A VAL 127.A N THR 123.A O no hydrogen 3.054 N/A THR 128.A N LEU 124.A O no hydrogen 3.280 N/A ALA 129.A N GLN 125.A O no hydrogen 3.069 N/A HIS 130.A N VAL 126.A O no hydrogen 2.724 N/A ARG 132.A NH2 SER 431.A OG no hydrogen 2.819 N/A THR 133.A N VAL 127.A O no hydrogen 2.938 N/A THR 133.A OG1 TYR 131.A O no hydrogen 3.406 N/A PHE 136.A N TYR 293.A OH no hydrogen 3.226 N/A PHE 137.A N PRO 135.A O no hydrogen 2.743 N/A SER 138.A N ASP 156.A O no hydrogen 2.892 N/A TYR 140.A N GLN 154.A O no hydrogen 3.114 N/A SER 142.A OG GLN 154.A OE1 no hydrogen 2.388 N/A ASP 144.A N SER 150.A O no hydrogen 2.963 N/A SER 145.A OG GLU 227.A OE2 no hydrogen 2.893 N/A LYS 146.A N ASP 144.A OD2 no hydrogen 3.193 N/A ASN 147.A N ASP 144.A O no hydrogen 2.873 N/A SER 148.A N ASN 515.A OD1 no hydrogen 2.834 N/A SER 148.A OG ASP 513.A O no hydrogen 2.820 N/A SER 148.A OG ASN 515.A OD1 no hydrogen 3.303 N/A SER 150.A N ASN 147.A O no hydrogen 2.974 N/A ASN 151.A ND2 GLN 438.A O no hydrogen 3.076 N/A ASN 151.A ND2 LYS 441.A O no hydrogen 3.368 N/A VAL 152.A N SER 142.A O no hydrogen 2.967 N/A GLN 154.A N TYR 140.A O no hydrogen 2.964 N/A GLN 154.A NE2 ALA 143.A O no hydrogen 3.181 N/A VAL 155.A N VAL 268.A O no hydrogen 2.950 N/A ASP 156.A N SER 138.A O no hydrogen 2.867 N/A GLN 157.A N ASP 156.A OD2 no hydrogen 2.842 N/A GLN 157.A NE2 ILE 219.A O no hydrogen 3.225 N/A SER 158.A N TYR 274.A OH no hydrogen 3.084 N/A SER 158.A OG SER 134.A O no hydrogen 2.565 N/A GLY 161.A N GLU 211.A OE2 no hydrogen 2.739 N/A LEU 162.A N TYR 168.A OH no hydrogen 2.957 N/A ARG 165.A NE ALA 215.A O no hydrogen 2.662 N/A ARG 165.A NE THR 218.A O no hydrogen 3.061 N/A ARG 165.A NH2 ASN 216.A O no hydrogen 2.908 N/A ASP 166.A N SER 164.A OG no hydrogen 3.396 N/A TYR 167.A N SER 164.A O no hydrogen 3.326 N/A TYR 168.A OH GLU 211.A OE2 no hydrogen 3.047 N/A LEU 169.A N ASP 166.A O no hydrogen 3.152 N/A ASN 170.A N ASP 166.A O no hydrogen 2.600 N/A LYS 171.A N ASP 166.A O no hydrogen 3.423 N/A THR 172.A OG1 LEU 169.A O no hydrogen 2.715 N/A THR 172.A OG1 ASN 170.A O no hydrogen 3.026 N/A GLU 173.A N ASN 170.A O no hydrogen 2.920 N/A ASN 174.A N ASN 170.A O no hydrogen 3.417 N/A LYS 176.A NZ THR 172.A O no hydrogen 2.943 N/A VAL 177.A N GLU 175.A O no hydrogen 3.186 N/A THR 179.A N LYS 176.A O no hydrogen 3.253 N/A GLY 180.A N LYS 176.A O no hydrogen 3.461 N/A TYR 181.A N VAL 177.A O no hydrogen 2.808 N/A TYR 181.A OH GLU 211.A OE2 no hydrogen 2.749 N/A LEU 182.A N LEU 178.A O no hydrogen 2.862 N/A ASN 183.A N THR 179.A O no hydrogen 2.762 N/A TYR 184.A N GLY 180.A O no hydrogen 3.350 N/A TYR 184.A OH ASP 314.A OD1 no hydrogen 2.597 N/A MET 185.A N TYR 181.A O no hydrogen 3.056 N/A VAL 186.A N LEU 182.A O no hydrogen 2.743 N/A GLN 187.A N ASN 183.A O no hydrogen 2.870 N/A LEU 188.A N TYR 184.A O no hydrogen 3.182 N/A GLY 189.A N MET 185.A O no hydrogen 2.857 N/A LYS 190.A N VAL 186.A O no hydrogen 2.963 N/A LEU 191.A N GLN 187.A O no hydrogen 3.001 N/A GLY 193.A N LYS 190.A O no hydrogen 2.805 N/A ALA 199.A N ASP 196.A O no hydrogen 2.771 N/A ILE 200.A N ASP 196.A O no hydrogen 3.028 N/A ARG 201.A N GLU 197.A O no hydrogen 2.712 N/A GLN 203.A NE2 ASN 110.A O no hydrogen 3.071 N/A GLN 203.A NE2 ALA 199.A O no hydrogen 3.337 N/A MET 204.A N ILE 200.A O no hydrogen 2.824 N/A GLN 205.A N ARG 201.A O no hydrogen 2.878 N/A GLN 205.A NE2 ASP 209.A OD1 no hydrogen 3.070 N/A GLN 206.A N PRO 202.A O no hydrogen 2.965 N/A ILE 207.A N GLN 203.A O no hydrogen 3.311 N/A LEU 208.A N MET 204.A O no hydrogen 3.207 N/A ASP 209.A N GLN 205.A O no hydrogen 2.829 N/A PHE 210.A N GLN 206.A O no hydrogen 2.953 N/A GLU 211.A N ILE 207.A O no hydrogen 2.797 N/A THR 212.A N LEU 208.A O no hydrogen 2.953 N/A THR 212.A N ASP 209.A O no hydrogen 3.164 N/A THR 212.A OG1 LEU 208.A O no hydrogen 3.365 N/A THR 212.A OG1 ASP 209.A O no hydrogen 2.377 N/A ALA 213.A N ASP 209.A O no hydrogen 3.137 N/A LEU 214.A N PHE 210.A O no hydrogen 3.015 N/A ALA 215.A N GLU 211.A O no hydrogen 3.164 N/A ASN 216.A N THR 212.A O no hydrogen 2.622 N/A ILE 217.A N ALA 213.A O no hydrogen 2.726 N/A THR 218.A OG1 LEU 214.A O no hydrogen 2.519 N/A ILE 219.A N GLN 157.A OE1 no hydrogen 2.730 N/A LYS 223.A N PRO 220.A O no hydrogen 2.784 N/A ARG 224.A N GLN 221.A O no hydrogen 3.270 N/A GLU 228.A N GLU 509.A OE1 no hydrogen 3.220 N/A LEU 229.A N ASP 226.A O no hydrogen 3.197 N/A ILE 230.A N ASP 226.A O no hydrogen 3.296 N/A ILE 230.A N GLU 227.A O no hydrogen 3.028 N/A TYR 231.A N GLU 227.A O no hydrogen 2.759 N/A TYR 231.A OH ASP 144.A OD2 no hydrogen 2.316 N/A HIS 232.A N VAL 269.A O no hydrogen 3.190 N/A LYS 233.A NZ ASP 144.A OD1 no hydrogen 2.818 N/A LYS 233.A NZ TYR 231.A OH no hydrogen 3.216 N/A VAL 234.A N ILE 267.A O no hydrogen 2.914 N/A THR 235.A N GLU 238.A OE2 no hydrogen 2.780 N/A ALA 236.A N GLU 265.A O no hydrogen 2.926 N/A ALA 237.A N GLU 263.A O no hydrogen 3.204 N/A GLU 238.A N THR 235.A OG1 no hydrogen 2.942 N/A LEU 239.A N THR 235.A O no hydrogen 2.793 N/A GLN 240.A N ALA 236.A O no hydrogen 3.181 N/A GLN 240.A NE2 PRO 244.A O no hydrogen 3.519 N/A GLN 240.A NE2 ILE 246.A O no hydrogen 3.158 N/A THR 241.A N ALA 237.A O no hydrogen 3.383 N/A THR 241.A OG1 GLU 238.A O no hydrogen 3.143 N/A LEU 242.A N GLU 238.A O no hydrogen 3.074 N/A ALA 243.A N LEU 239.A O no hydrogen 2.883 N/A ALA 245.A N SER 279.A OG no hydrogen 2.824 N/A ASN 247.A N GLN 121.A OE1 no hydrogen 2.937 N/A TRP 248.A N GLN 240.A OE1 no hydrogen 2.763 N/A TRP 248.A NE1 ALA 243.A O no hydrogen 2.788 N/A PHE 251.A N ASN 247.A O no hydrogen 3.134 N/A LEU 252.A N TRP 248.A O no hydrogen 2.688 N/A ASN 253.A N LEU 249.A O no hydrogen 2.905 N/A ASN 253.A ND2 LEU 249.A O no hydrogen 2.809 N/A ASN 253.A ND2 ILE 261.A O no hydrogen 2.637 N/A THR 254.A N PRO 250.A O no hydrogen 2.937 N/A ILE 255.A N PHE 251.A O no hydrogen 3.077 N/A PHE 256.A N LEU 252.A O no hydrogen 2.785 N/A VAL 259.A N PHE 256.A O no hydrogen 2.765 N/A ILE 261.A N ASN 253.A OD1 no hydrogen 2.855 N/A SER 264.A N ASN 262.A OD1 no hydrogen 2.967 N/A SER 264.A OG ASN 262.A OD1 no hydrogen 2.468 N/A GLU 265.A N ASN 262.A O no hydrogen 2.835 N/A ILE 267.A N VAL 234.A O no hydrogen 2.726 N/A VAL 268.A N ILE 153.A O no hydrogen 2.858 N/A VAL 269.A N HIS 232.A O no hydrogen 2.693 N/A TYR 274.A N ASP 271.A OD1 no hydrogen 2.966 N/A TYR 274.A OH PHE 136.A O no hydrogen 2.894 N/A LEU 275.A N ASP 271.A O no hydrogen 3.294 N/A GLU 276.A N LYS 272.A O no hydrogen 3.028 N/A GLN 277.A N GLU 273.A O no hydrogen 2.706 N/A ILE 278.A N TYR 274.A O no hydrogen 2.619 N/A SER 279.A N LEU 275.A O no hydrogen 3.060 N/A THR 280.A N GLU 276.A O no hydrogen 3.173 N/A THR 280.A OG1 GLU 276.A O no hydrogen 3.250 N/A THR 280.A OG1 GLN 277.A O no hydrogen 2.644 N/A LEU 281.A N GLN 277.A O no hydrogen 3.054 N/A ILE 282.A N ILE 278.A O no hydrogen 2.644 N/A ASN 283.A N SER 279.A O no hydrogen 2.834 N/A THR 285.A N ILE 282.A O no hydrogen 3.336 N/A THR 285.A OG1 ASP 286.A O no hydrogen 3.115 N/A ARG 287.A NH2 ASP 118.A OD2 no hydrogen 3.299 N/A LEU 289.A N ASP 286.A OD1 no hydrogen 3.024 N/A LEU 290.A N ASP 286.A O no hydrogen 3.196 N/A ASN 291.A N ARG 287.A O no hydrogen 2.642 N/A ASN 291.A ND2 GLY 108.A O no hydrogen 2.934 N/A ASN 292.A N CYS 288.A O no hydrogen 2.558 N/A TYR 293.A N LEU 289.A O no hydrogen 2.810 N/A TYR 293.A OH GLY 159.A O no hydrogen 2.846 N/A MET 294.A N LEU 290.A O no hydrogen 3.101 N/A ILE 295.A N ASN 291.A O no hydrogen 2.963 N/A TRP 296.A N ASN 292.A O no hydrogen 2.926 N/A TRP 296.A NE1 TYR 181.A OH no hydrogen 2.927 N/A ASN 297.A N TYR 293.A O no hydrogen 3.035 N/A LEU 298.A N MET 294.A O no hydrogen 3.055 N/A VAL 299.A N ILE 295.A O no hydrogen 2.668 N/A ARG 300.A N TRP 296.A O no hydrogen 2.834 N/A LYS 301.A N ASN 297.A O no hydrogen 3.006 N/A LYS 301.A NZ ARG 132.A O no hydrogen 2.869 N/A THR 302.A N VAL 299.A O no hydrogen 2.969 N/A THR 302.A OG1 LEU 298.A O no hydrogen 2.740 N/A SER 303.A N VAL 299.A O no hydrogen 2.896 N/A SER 303.A OG VAL 299.A O no hydrogen 2.212 N/A PHE 305.A N THR 302.A O no hydrogen 2.959 N/A LEU 306.A N SER 303.A O no hydrogen 3.112 N/A GLN 308.A N GLU 92.A OE2 no hydrogen 3.191 N/A ARG 309.A N ASP 307.A OD1 no hydrogen 2.348 N/A ARG 309.A NE ASP 307.A OD1 no hydrogen 3.392 N/A ARG 309.A NE ASP 307.A OD2 no hydrogen 3.238 N/A ARG 309.A NH2 ASP 307.A OD2 no hydrogen 2.789 N/A PHE 310.A N ASP 307.A O no hydrogen 3.038 N/A GLN 311.A N ASP 307.A O no hydrogen 3.400 N/A ASP 312.A N GLN 308.A O no hydrogen 3.360 N/A ALA 313.A N ARG 309.A O no hydrogen 3.422 N/A ASP 314.A N PHE 310.A O no hydrogen 2.763 N/A GLU 315.A N GLN 311.A O no hydrogen 2.643 N/A LYS 316.A N ASP 312.A O no hydrogen 2.812 N/A PHE 317.A N ALA 313.A O no hydrogen 3.181 N/A MET 318.A N ASP 314.A O no hydrogen 3.115 N/A GLU 319.A N GLU 315.A O no hydrogen 2.982 N/A GLU 319.A N LYS 316.A O no hydrogen 3.125 N/A VAL 320.A N PHE 317.A O no hydrogen 2.762 N/A MET 321.A N PHE 317.A O no hydrogen 2.655 N/A TRP 322.A NE1 GLN 311.A OE1 no hydrogen 3.117 N/A LYS 323.A NZ GLU 54.A OE1 no hydrogen 2.839 N/A VAL 326.A N LYS 323.A O no hydrogen 2.733 N/A SER 327.A N LYS 323.A O no hydrogen 3.433 N/A SER 327.A OG PHE 324.A O no hydrogen 3.058 N/A ASP 328.A N PHE 324.A O no hydrogen 3.388 N/A THR 329.A N CYS 325.A O no hydrogen 3.009 N/A THR 329.A OG1 CYS 325.A O no hydrogen 2.600 N/A GLU 330.A N VAL 326.A O no hydrogen 3.102 N/A ASN 331.A N SER 327.A O no hydrogen 2.695 N/A ASN 332.A N ASP 328.A O no hydrogen 2.992 N/A LEU 333.A N THR 329.A O no hydrogen 2.702 N/A LEU 337.A N LEU 333.A O no hydrogen 3.078 N/A LEU 337.A N GLY 334.A O no hydrogen 3.302 N/A GLY 338.A N PHE 335.A O no hydrogen 3.408 N/A PHE 341.A N LEU 337.A O no hydrogen 2.721 N/A VAL 342.A N GLY 338.A O no hydrogen 2.747 N/A LYS 343.A N PRO 339.A O no hydrogen 2.972 N/A ALA 344.A N MET 340.A O no hydrogen 3.213 N/A THR 345.A N PHE 341.A O no hydrogen 3.004 N/A THR 345.A OG1 PHE 341.A O no hydrogen 2.820 N/A PHE 346.A N VAL 342.A O no hydrogen 2.842 N/A SER 350.A N ALA 347.A O no hydrogen 2.861 N/A LYS 351.A N GLU 348.A O no hydrogen 2.986 N/A LYS 351.A NZ TYR 396.A OH no hydrogen 3.543 N/A SER 352.A N GLU 348.A O no hydrogen 3.401 N/A ILE 353.A N ASP 349.A O no hydrogen 3.028 N/A ALA 354.A N SER 350.A O no hydrogen 2.889 N/A THR 355.A N LYS 351.A O no hydrogen 2.829 N/A THR 355.A OG1 LYS 351.A O no hydrogen 2.746 N/A GLU 356.A N SER 352.A O no hydrogen 3.010 N/A ILE 357.A N ILE 353.A O no hydrogen 2.906 N/A ILE 358.A N ALA 354.A O no hydrogen 2.954 N/A LEU 359.A N THR 355.A O no hydrogen 3.137 N/A GLU 360.A N GLU 356.A O no hydrogen 2.986 N/A ILE 361.A N ILE 357.A O no hydrogen 3.083 N/A LYS 362.A N ILE 358.A O no hydrogen 2.924 N/A LYS 362.A NZ ASP 388.A O no hydrogen 3.461 N/A LYS 362.A NZ ILE 390.A O no hydrogen 3.147 N/A LYS 363.A N LEU 359.A O no hydrogen 2.877 N/A ALA 364.A N GLU 360.A O no hydrogen 3.138 N/A PHE 365.A N ILE 361.A O no hydrogen 2.793 N/A GLU 366.A N LYS 362.A O no hydrogen 2.725 N/A GLU 367.A N LYS 363.A O no hydrogen 2.905 N/A SER 368.A N ALA 364.A O no hydrogen 2.946 N/A SER 368.A OG TRP 660.A O no hydrogen 3.111 N/A LEU 369.A N PHE 365.A O no hydrogen 2.867 N/A SER 370.A N GLU 366.A O no hydrogen 2.980 N/A THR 371.A N SER 368.A O no hydrogen 3.126 N/A TRP 374.A NE1 VAL 659.A O no hydrogen 2.872 N/A THR 379.A N ASP 376.A OD2 no hydrogen 2.639 N/A THR 379.A OG1 ASP 376.A OD2 no hydrogen 2.792 N/A THR 379.A OG1 SER 524.A OG no hydrogen 2.696 N/A ARG 380.A N ASP 376.A O no hydrogen 2.975 N/A ARG 380.A NH1 LEU 372.A O no hydrogen 3.299 N/A LYS 381.A N GLU 377.A O no hydrogen 2.887 N/A SER 382.A N GLU 378.A O no hydrogen 3.190 N/A SER 382.A OG GLU 378.A O no hydrogen 3.389 N/A ALA 383.A N THR 379.A O no hydrogen 3.058 N/A LYS 384.A N ARG 380.A O no hydrogen 3.042 N/A LYS 384.A NZ ASP 388.A OD1 no hydrogen 2.734 N/A LYS 384.A NZ ASP 388.A OD2 no hydrogen 2.498 N/A GLU 385.A N LYS 381.A O no hydrogen 3.123 N/A LYS 386.A N SER 382.A O no hydrogen 2.928 N/A LYS 386.A NZ ALA 502.A O no hydrogen 2.860 N/A LYS 386.A NZ GLY 507.A O no hydrogen 2.724 N/A LYS 386.A NZ TYR 510.A O no hydrogen 2.583 N/A ALA 387.A N ALA 383.A O no hydrogen 2.735 N/A ASP 388.A N LYS 384.A O no hydrogen 2.621 N/A ALA 389.A N GLU 385.A O no hydrogen 3.300 N/A ALA 389.A N LYS 386.A O no hydrogen 3.154 N/A ILE 390.A N ALA 387.A O no hydrogen 2.843 N/A TYR 391.A N ASN 464.A O no hydrogen 3.005 N/A MET 393.A N ILE 466.A O no hydrogen 3.011 N/A GLY 395.A N PHE 468.A O no hydrogen 2.743 N/A TYR 396.A N ILE 394.A O no hydrogen 2.852 N/A TYR 396.A OH GLU 348.A OE2 no hydrogen 2.091 N/A ASN 398.A N ASP 446.A OD2 no hydrogen 2.859 N/A PHE 399.A N ASP 446.A OD1 no hydrogen 3.207 N/A ILE 400.A N PRO 397.A O no hydrogen 3.222 N/A MET 401.A N ASN 398.A O no hydrogen 3.054 N/A ASP 402.A N PHE 399.A O no hydrogen 3.304 N/A LEU 406.A N ASP 402.A O no hydrogen 2.850 N/A ASP 407.A N PRO 403.A O no hydrogen 2.853 N/A LYS 408.A N LYS 404.A O no hydrogen 3.264 N/A LYS 408.A NZ GLU 405.A OE1 no hydrogen 2.351 N/A LYS 408.A NZ GLU 405.A OE2 no hydrogen 3.080 N/A VAL 409.A N GLU 405.A O no hydrogen 3.208 N/A PHE 410.A N LEU 406.A O no hydrogen 3.248 N/A ASN 411.A N LYS 408.A O no hydrogen 3.304 N/A TYR 413.A N PHE 410.A O no hydrogen 2.915 N/A TYR 413.A OH ASN 423.A O no hydrogen 2.576 N/A VAL 416.A N ASN 423.A OD1 no hydrogen 2.693 N/A TYR 420.A OH ASP 328.A OD2 no hydrogen 3.009 N/A ASN 423.A N LEU 419.A O no hydrogen 2.835 N/A ASN 423.A ND2 VAL 416.A O no hydrogen 2.830 N/A ALA 424.A N TYR 420.A O no hydrogen 2.951 N/A MET 425.A N PHE 421.A O no hydrogen 3.131 N/A ARG 426.A N GLU 422.A O no hydrogen 2.915 N/A ARG 426.A NH1 GLU 422.A OE1 no hydrogen 2.869 N/A PHE 427.A N ASN 423.A O no hydrogen 2.977 N/A PHE 428.A N ALA 424.A O no hydrogen 2.806 N/A ASN 429.A N MET 425.A O no hydrogen 2.999 N/A PHE 430.A N ARG 426.A O no hydrogen 2.985 N/A SER 431.A N PHE 427.A O no hydrogen 2.785 N/A TRP 432.A N PHE 428.A O no hydrogen 3.056 N/A TRP 432.A NE1 ILE 255.A O no hydrogen 3.108 N/A ARG 433.A N ASN 429.A O no hydrogen 3.156 N/A VAL 434.A N PHE 430.A O no hydrogen 3.058 N/A THR 435.A N SER 431.A O no hydrogen 3.375 N/A THR 435.A OG1 TRP 432.A O no hydrogen 2.610 N/A ALA 436.A N TRP 432.A O no hydrogen 2.915 N/A ASP 437.A N ARG 433.A O no hydrogen 3.014 N/A GLN 438.A N THR 435.A O no hydrogen 2.977 N/A LEU 439.A N ALA 436.A O no hydrogen 3.170 N/A ARG 440.A NH1 GLU 260.A O no hydrogen 3.388 N/A ARG 440.A NH1 GLU 265.A OE2 no hydrogen 2.965 N/A ARG 440.A NH2 GLU 265.A OE1 no hydrogen 3.180 N/A LYS 441.A N GLN 438.A O no hydrogen 3.012 N/A ASN 444.A N GLN 447.A OE1 no hydrogen 3.155 N/A ARG 445.A NE LYS 463.A O no hydrogen 2.797 N/A ARG 445.A NH1 ALA 389.A O no hydrogen 3.524 N/A ARG 445.A NH1 LYS 463.A O no hydrogen 2.705 N/A ARG 445.A NH1 ASN 464.A O no hydrogen 3.374 N/A GLN 447.A N ASN 444.A O no hydrogen 3.368 N/A GLN 447.A NE2 GLN 438.A OE1 no hydrogen 3.579 N/A SER 449.A N TYR 458.A OH no hydrogen 3.147 N/A MET 454.A N THR 451.A O no hydrogen 3.174 N/A ALA 457.A N ASN 456.A OD1 no hydrogen 2.572 N/A TYR 458.A N VAL 467.A O no hydrogen 3.170 N/A TYR 459.A OH ASN 464.A OD1 no hydrogen 2.387 N/A SER 460.A N GLU 465.A O no hydrogen 2.792 N/A LYS 463.A NZ ASN 444.A O no hydrogen 2.757 N/A LYS 463.A NZ GLN 447.A O no hydrogen 2.675 N/A ASN 464.A ND2 LYS 386.A O no hydrogen 3.393 N/A ASN 464.A ND2 LYS 512.A O no hydrogen 3.474 N/A GLU 465.A N SER 460.A O no hydrogen 3.108 N/A ILE 466.A N TYR 391.A O no hydrogen 2.733 N/A VAL 467.A N TYR 458.A O no hydrogen 2.954 N/A PHE 468.A N MET 393.A O no hydrogen 2.996 N/A ALA 470.A N GLY 395.A O no hydrogen 2.945 N/A GLY 471.A N PRO 452.A O no hydrogen 2.827 N/A ILE 472.A N PRO 469.A O no hydrogen 2.959 N/A LEU 473.A N ALA 470.A O no hydrogen 3.092 N/A GLN 474.A NE2 ASN 56.A OD1 no hydrogen 3.439 N/A TYR 478.A N GLN 474.A O no hydrogen 3.032 N/A THR 479.A N ASN 487.A OD1 no hydrogen 3.231 N/A SER 482.A N THR 479.A O no hydrogen 2.882 N/A LYS 484.A N GLU 582.A OE1 no hydrogen 3.150 N/A LEU 486.A N PRO 483.A O no hydrogen 2.775 N/A ASN 487.A N PRO 483.A O no hydrogen 3.083 N/A ASN 487.A ND2 THR 479.A O no hydrogen 2.996 N/A PHE 488.A N LYS 484.A O no hydrogen 2.567 N/A GLY 489.A N ALA 485.A O no hydrogen 2.956 N/A GLY 490.A N ASN 487.A O no hydrogen 3.181 N/A ILE 491.A N PHE 477.A O no hydrogen 2.967 N/A GLY 492.A N ASN 487.A O no hydrogen 3.087 N/A VAL 493.A N GLY 490.A O no hydrogen 3.101 N/A VAL 494.A N GLY 490.A O no hydrogen 3.123 N/A VAL 495.A N ILE 491.A O no hydrogen 2.781 N/A GLY 496.A N GLY 492.A O no hydrogen 3.088 N/A HIS 497.A N VAL 493.A O no hydrogen 2.973 N/A GLU 498.A N VAL 494.A O no hydrogen 3.232 N/A GLU 498.A N VAL 495.A O no hydrogen 2.789 N/A LEU 499.A N VAL 495.A O no hydrogen 3.009 N/A THR 500.A N GLY 496.A O no hydrogen 2.870 N/A THR 500.A OG1 GLY 496.A O no hydrogen 2.513 N/A HIS 501.A N GLU 498.A O no hydrogen 3.080 N/A HIS 501.A ND1 ASP 504.A OD2 no hydrogen 2.491 N/A HIS 501.A NE2 GLU 557.A OE1 no hydrogen 2.792 N/A ALA 502.A N LEU 499.A O no hydrogen 3.051 N/A PHE 503.A N THR 500.A O no hydrogen 3.016 N/A ASP 504.A N HIS 501.A O no hydrogen 3.480 N/A GLN 506.A N ASP 504.A OD1 no hydrogen 2.765 N/A GLN 506.A NE2 ARG 225.A O no hydrogen 2.694 N/A GLY 507.A N ASP 504.A OD1 no hydrogen 2.956 N/A ARG 508.A N ASP 504.A O no hydrogen 3.000 N/A GLU 509.A N GLN 506.A O no hydrogen 3.149 N/A TYR 510.A N GLY 507.A O no hydrogen 3.208 N/A ASP 511.A N ASN 515.A O no hydrogen 2.811 N/A LYS 512.A NZ ASP 513.A OD1 no hydrogen 3.409 N/A ASP 513.A N ASP 511.A OD2 no hydrogen 3.154 N/A GLY 514.A N ASP 511.A O no hydrogen 2.986 N/A ASN 515.A N ASP 511.A OD2 no hydrogen 2.776 N/A LEU 516.A N SER 145.A O no hydrogen 2.753 N/A ARG 517.A N GLU 509.A O no hydrogen 3.443 N/A ARG 517.A NE PRO 518.A O no hydrogen 3.387 N/A TRP 519.A NE1 ARG 508.A O no hydrogen 2.654 N/A LYS 521.A NZ ASP 376.A OD1 no hydrogen 2.991 N/A LYS 521.A NZ GLU 378.A OE2 no hydrogen 2.634 N/A SER 524.A OG THR 379.A OG1 no hydrogen 2.696 N/A VAL 525.A N LYS 521.A O no hydrogen 3.229 N/A GLU 526.A N ASN 522.A O no hydrogen 2.698 N/A ALA 527.A N SER 523.A O no hydrogen 2.868 N/A PHE 528.A N SER 524.A O no hydrogen 2.800 N/A LYS 529.A N VAL 525.A O no hydrogen 2.977 N/A ARG 530.A N GLU 526.A O no hydrogen 3.222 N/A GLN 531.A N ALA 527.A O no hydrogen 3.389 N/A GLN 531.A NE2 GLU 658.A O no hydrogen 2.881 N/A THR 532.A N PHE 528.A O no hydrogen 3.247 N/A THR 532.A OG1 LYS 529.A O no hydrogen 2.647 N/A THR 532.A OG1 GLU 533.A OE2 no hydrogen 3.145 N/A GLU 533.A N LYS 529.A O no hydrogen 3.198 N/A MET 535.A N THR 532.A O no hydrogen 2.979 N/A VAL 536.A N THR 532.A O no hydrogen 3.209 N/A GLU 537.A N GLU 533.A O no hydrogen 2.928 N/A GLN 538.A N CYS 534.A O no hydrogen 2.761 N/A TYR 539.A N MET 535.A O no hydrogen 2.957 N/A TYR 539.A OH ASN 562.A OD1 no hydrogen 3.220 N/A SER 540.A N VAL 536.A O no hydrogen 2.906 N/A SER 540.A OG VAL 536.A O no hydrogen 3.245 N/A SER 540.A OG GLU 537.A O no hydrogen 3.236 N/A ASN 541.A N GLN 538.A O no hydrogen 3.065 N/A TYR 542.A N TYR 539.A O no hydrogen 3.373 N/A TYR 542.A OH GLN 538.A OE1 no hydrogen 3.164 N/A VAL 544.A N GLU 547.A O no hydrogen 2.793 N/A GLU 547.A N VAL 544.A O no hydrogen 3.309 N/A VAL 549.A N TYR 542.A O no hydrogen 2.996 N/A THR 554.A N ASN 550.A O no hydrogen 3.054 N/A THR 554.A OG1 ASN 550.A O no hydrogen 2.738 N/A LEU 555.A N ARG 552.A O no hydrogen 3.264 N/A ASN 558.A N THR 554.A O no hydrogen 3.041 N/A ASN 558.A ND2 THR 554.A OG1 no hydrogen 2.939 N/A ILE 559.A N LEU 555.A O no hydrogen 2.717 N/A ALA 560.A N GLY 556.A O no hydrogen 3.146 N/A ASP 561.A N GLU 557.A O no hydrogen 2.959 N/A ASN 562.A N ASN 558.A O no hydrogen 2.969 N/A ASN 562.A ND2 GLY 631.A O no hydrogen 3.506 N/A GLY 563.A N ILE 559.A O no hydrogen 3.012 N/A GLY 564.A N ALA 560.A O no hydrogen 3.059 N/A LEU 565.A N ASP 561.A O no hydrogen 2.970 N/A LYS 566.A N ASN 562.A O no hydrogen 3.240 N/A LYS 566.A NZ SER 368.A OG no hydrogen 2.884 N/A LYS 566.A NZ GLU 658.A OE2 no hydrogen 2.589 N/A LYS 566.A NZ TRP 660.A O no hydrogen 3.255 N/A LYS 566.A NZ TRP 660.A OXT no hydrogen 3.052 N/A ALA 567.A N GLY 563.A O no hydrogen 2.852 N/A ALA 568.A N GLY 564.A O no hydrogen 2.989 N/A TYR 569.A N LEU 565.A O no hydrogen 3.019 N/A ARG 570.A N LYS 566.A O no hydrogen 3.150 N/A ARG 570.A NH2 GLU 367.A OE1 no hydrogen 3.048 N/A ALA 571.A N ALA 567.A O no hydrogen 3.005 N/A TYR 572.A N ALA 568.A O no hydrogen 2.923 N/A GLN 573.A N TYR 569.A O no hydrogen 2.820 N/A ASN 574.A N ARG 570.A O no hydrogen 2.738 N/A ASN 574.A ND2 GLU 367.A OE1 no hydrogen 3.254 N/A ASN 574.A ND2 GLU 367.A OE2 no hydrogen 3.328 N/A TRP 575.A N ALA 571.A O no hydrogen 2.887 N/A VAL 576.A N TYR 572.A O no hydrogen 3.071 N/A LYS 577.A N GLN 573.A O no hydrogen 2.788 N/A LYS 577.A NZ ASN 574.A OD1 no hydrogen 3.546 N/A LYS 578.A N ASN 574.A O no hydrogen 2.980 N/A ASN 579.A N TRP 575.A O no hydrogen 2.831 N/A ASN 579.A ND2 TRP 575.A O no hydrogen 2.993 N/A GLY 580.A N VAL 576.A O no hydrogen 2.839 N/A THR 591.A N GLN 594.A OE1 no hydrogen 2.728 N/A THR 591.A OG1 GLN 594.A OE1 no hydrogen 3.479 N/A ASN 592.A ND2 HIS 583.A O no hydrogen 3.089 N/A ASN 593.A ND2 HIS 642.A NE2 no hydrogen 3.386 N/A GLN 594.A N THR 591.A OG1 no hydrogen 3.361 N/A GLN 594.A NE2 HIS 642.A O no hydrogen 3.327 N/A LEU 595.A N THR 591.A O no hydrogen 2.797 N/A PHE 596.A N ASN 592.A O no hydrogen 2.845 N/A LEU 598.A N GLN 594.A O no hydrogen 3.000 N/A GLY 599.A N LEU 595.A O no hydrogen 2.752 N/A PHE 600.A N PHE 596.A O no hydrogen 3.153 N/A ALA 601.A N PHE 597.A O no hydrogen 3.140 N/A GLN 602.A N LEU 598.A O no hydrogen 3.033 N/A GLN 602.A NE2 ILE 11.A O no hydrogen 3.085 N/A GLN 602.A NE2 ALA 29.A O no hydrogen 3.096 N/A VAL 603.A N GLY 599.A O no hydrogen 3.320 N/A VAL 603.A N PHE 600.A O no hydrogen 3.235 N/A TRP 604.A N ALA 601.A O no hydrogen 3.116 N/A CYS 605.A N GLN 602.A O no hydrogen 3.361 N/A CYS 605.A SG ALA 29.A O no hydrogen 4.033 N/A CYS 605.A SG ALA 601.A O no hydrogen 4.007 N/A CYS 605.A SG GLN 602.A O no hydrogen 3.373 N/A VAL 607.A N TRP 46.A O no hydrogen 2.904 N/A THR 609.A N SER 44.A O no hydrogen 2.901 N/A THR 609.A OG1 SER 44.A O no hydrogen 2.953 N/A SER 613.A N THR 609.A O no hydrogen 3.159 N/A GLU 615.A N GLU 611.A O no hydrogen 3.082 N/A GLU 615.A N SER 612.A O no hydrogen 2.968 N/A GLY 616.A N SER 612.A O no hydrogen 2.525 N/A LEU 617.A N SER 613.A O no hydrogen 3.342 N/A ILE 618.A N GLU 615.A O no hydrogen 2.820 N/A THR 619.A N GLU 615.A O no hydrogen 2.935 N/A THR 619.A OG1 GLU 615.A OE2 no hydrogen 2.830 N/A ASP 620.A N GLY 616.A O no hydrogen 2.771 N/A HIS 622.A ND1 ASP 620.A OD1 no hydrogen 3.064 N/A SER 623.A OG ASN 558.A OD1 no hydrogen 3.077 N/A SER 625.A OG SER 606.A OG no hydrogen 3.347 N/A ARG 626.A NH1 ASP 24.A OD1 no hydrogen 3.160 N/A ARG 626.A NH2 ASP 24.A OD1 no hydrogen 3.025 N/A ARG 628.A N PRO 624.A O no hydrogen 3.059 N/A ARG 628.A N SER 625.A O no hydrogen 3.127 N/A ARG 628.A NE ASP 561.A OD1 no hydrogen 2.919 N/A ARG 628.A NH1 ASP 561.A OD1 no hydrogen 3.525 N/A ARG 628.A NH1 ASP 561.A OD2 no hydrogen 3.097 N/A VAL 629.A N SER 625.A O no hydrogen 3.290 N/A ILE 630.A N ARG 626.A O no hydrogen 2.923 N/A GLY 631.A N PHE 627.A O no hydrogen 2.884 N/A SER 632.A N ARG 628.A O no hydrogen 3.299 N/A SER 632.A OG ARG 628.A O no hydrogen 2.828 N/A LEU 633.A N VAL 629.A O no hydrogen 2.881 N/A SER 634.A N ILE 630.A O no hydrogen 2.968 N/A SER 634.A OG ILE 630.A O no hydrogen 2.283 N/A ASN 635.A N SER 632.A O no hydrogen 3.077 N/A ASN 635.A ND2 GLN 538.A OE1 no hydrogen 3.077 N/A SER 636.A N LEU 633.A O no hydrogen 3.018 N/A SER 636.A OG GLU 638.A OE2 no hydrogen 3.528 N/A GLU 638.A N GLU 638.A OE2 no hydrogen 2.766 N/A PHE 639.A N SER 636.A OG no hydrogen 2.954 N/A SER 640.A N SER 636.A O no hydrogen 3.384 N/A GLU 641.A N LYS 637.A O no hydrogen 2.786 N/A HIS 642.A N GLU 638.A O no hydrogen 3.218 N/A HIS 642.A ND1 GLU 638.A O no hydrogen 2.715 N/A PHE 643.A N PHE 639.A O no hydrogen 3.025 N/A ARG 644.A N GLU 641.A O no hydrogen 3.215 N/A CYS 645.A N SER 640.A O no hydrogen 3.222 N/A SER 649.A N PRO 646.A O no hydrogen 2.965 N/A SER 649.A OG PRO 646.A O no hydrogen 3.091 N/A MET 651.A N CYS 22.A O no hydrogen 3.277 N/A ASN 652.A N SER 649.A O no hydrogen 2.916 N/A ASN 652.A ND2 CYS 645.A O no hydrogen 2.590 N/A ASN 652.A ND2 PRO 646.A O no hydrogen 3.170 N/A LYS 656.A N PRO 654.A O no hydrogen 2.951 N/A LYS 656.A NZ ASN 652.A OD1 no hydrogen 2.419 N/A LYS 656.A NZ PRO 653.A O no hydrogen 2.825 N/A CYS 657.A N ASN 635.A OD1 no hydrogen 2.628 N/A