Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bg9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N GLN 1.A O no hydrogen 3.386 N/A LYS 6.A N ASN 2.A O no hydrogen 3.089 N/A LYS 6.A NZ ALA 532.A O no hydrogen 2.268 N/A LEU 7.A N ALA 4.A O no hydrogen 2.725 N/A LEU 8.A N ALA 4.A O no hydrogen 3.351 N/A HIS 9.A N GLN 5.A O no hydrogen 2.975 N/A TYR 10.A N LYS 6.A O no hydrogen 3.260 N/A TYR 10.A OH PHE 545.A O no hydrogen 2.917 N/A LEU 11.A N LEU 7.A O no hydrogen 2.680 N/A GLY 12.A N LEU 8.A O no hydrogen 2.616 N/A HIS 13.A N HIS 9.A O no hydrogen 2.678 N/A VAL 14.A N TYR 10.A O no hydrogen 2.904 N/A MET 15.A N LEU 11.A O no hydrogen 3.033 N/A VAL 16.A N GLY 12.A O no hydrogen 2.931 N/A ASN 17.A N HIS 13.A O no hydrogen 2.667 N/A ASN 17.A ND2 LYS 597.A O no hydrogen 2.552 N/A THR 21.A OG1 PHE 125.A O no hydrogen 3.313 N/A VAL 25.A N ALA 354.A O no hydrogen 3.226 N/A SER 30.A N GLY 350.A O no hydrogen 2.734 N/A THR 32.A N SER 30.A OG no hydrogen 3.298 N/A GLY 47.A N ASN 143.A O no hydrogen 3.228 N/A ARG 49.A N ASN 143.A O no hydrogen 3.099 N/A ARG 49.A NE ASP 179.A OD1 no hydrogen 3.324 N/A ARG 49.A NH2 ASP 179.A OD1 no hydrogen 3.212 N/A LEU 52.A N PHE 48.A O no hydrogen 2.868 N/A LEU 53.A N ARG 49.A O no hydrogen 3.204 N/A ARG 54.A N ASP 50.A O no hydrogen 2.936 N/A GLU 55.A N LEU 52.A O no hydrogen 2.993 N/A GLY 56.A N LEU 52.A O no hydrogen 2.474 N/A GLY 59.A N GLU 55.A O no hydrogen 3.443 N/A PHE 60.A N GLY 56.A O no hydrogen 3.098 N/A ALA 61.A N PRO 57.A O no hydrogen 3.185 N/A ARG 62.A N GLU 58.A O no hydrogen 3.417 N/A ALA 63.A N GLY 59.A O no hydrogen 2.887 N/A VAL 64.A N PHE 60.A O no hydrogen 2.850 N/A ARG 65.A N ALA 61.A O no hydrogen 2.683 N/A ARG 65.A NE PRO 271.A O no hydrogen 3.047 N/A ARG 65.A NH1 ARG 65.A O no hydrogen 2.312 N/A ARG 65.A NH2 PRO 271.A O no hydrogen 3.033 N/A ASN 66.A N ARG 62.A O no hydrogen 2.496 N/A ASN 66.A ND2 ARG 62.A O no hydrogen 2.982 N/A HIS 67.A N VAL 64.A O no hydrogen 3.189 N/A LEU 70.A N LEU 329.A O no hydrogen 2.754 N/A LEU 71.A N ASP 299.A O no hydrogen 3.170 N/A MET 73.A N VAL 301.A O no hydrogen 3.357 N/A THR 75.A N VAL 303.A O no hydrogen 2.994 N/A THR 75.A OG1 VAL 303.A O no hydrogen 3.235 N/A THR 76.A OG1 ASP 74.A OD1 no hydrogen 2.488 N/A ARG 78.A N THR 75.A O no hydrogen 2.859 N/A ARG 78.A NE GLU 112.A OE1 no hydrogen 2.655 N/A ARG 78.A NH2 GLU 112.A OE2 no hydrogen 3.267 N/A ASP 79.A N GLU 112.A OE1 no hydrogen 3.316 N/A ALA 80.A N THR 75.A O no hydrogen 2.715 N/A GLN 82.A N ARG 78.A O no hydrogen 3.026 N/A SER 83.A N ASP 79.A O no hydrogen 3.188 N/A SER 83.A OG ASP 79.A O no hydrogen 2.969 N/A SER 83.A OG ASP 79.A OD2 no hydrogen 3.316 N/A LEU 84.A N ALA 80.A O no hydrogen 3.344 N/A LEU 85.A N HIS 81.A O no hydrogen 2.734 N/A THR 87.A N HIS 81.A O no hydrogen 3.127 N/A THR 87.A OG1 GLN 82.A O no hydrogen 3.385 N/A ARG 88.A N LEU 85.A O no hydrogen 3.049 N/A ARG 90.A N TYR 352.A OH no hydrogen 2.897 N/A ARG 90.A NH1 LEU 540.A O no hydrogen 2.480 N/A ARG 90.A NH2 LEU 537.A O no hydrogen 2.749 N/A ARG 90.A NH2 LEU 540.A O no hydrogen 2.565 N/A THR 91.A N GLU 128.A OE1 no hydrogen 3.088 N/A THR 91.A OG1 GLU 128.A OE1 no hydrogen 3.236 N/A THR 91.A OG1 GLU 128.A OE2 no hydrogen 3.421 N/A LEU 94.A N ARG 90.A O no hydrogen 3.315 N/A LEU 94.A N THR 91.A O no hydrogen 2.801 N/A LYS 95.A N THR 91.A O no hydrogen 2.778 N/A LYS 95.A N HIS 92.A O no hydrogen 3.257 N/A LYS 95.A NZ GLU 136.A OE1 no hydrogen 3.519 N/A LYS 95.A NZ GLU 136.A OE2 no hydrogen 3.294 N/A LYS 96.A N HIS 92.A O no hydrogen 3.236 N/A ALA 98.A N LYS 95.A O no hydrogen 3.227 N/A TYR 100.A OH ARG 337.A O no hydrogen 3.262 N/A TYR 100.A OH ASP 340.A OD2 no hydrogen 3.353 N/A VAL 101.A N ILE 97.A O no hydrogen 3.093 N/A ALA 102.A N ALA 98.A O no hydrogen 3.025 N/A HIS 103.A N PRO 99.A O no hydrogen 3.209 N/A ASN 104.A N TYR 100.A O no hydrogen 2.762 N/A ASN 104.A ND2 TYR 100.A O no hydrogen 3.096 N/A PHE 105.A N VAL 101.A O no hydrogen 2.744 N/A PHE 109.A N LEU 72.A O no hydrogen 3.135 N/A SER 110.A OG GLN 147.A OE1 no hydrogen 2.971 N/A GLU 112.A N ASP 74.A O no hydrogen 2.699 N/A ASN 113.A N GLN 147.A O no hydrogen 3.344 N/A TRP 114.A NE1 PRO 130.A O no hydrogen 2.903 N/A GLY 116.A N LEU 149.A O no hydrogen 3.129 N/A ALA 117.A N GLN 82.A OE1 no hydrogen 3.257 N/A THR 118.A OG1 GLY 115.A O no hydrogen 2.597 N/A ASP 120.A N ALA 117.A O no hydrogen 2.743 N/A VAL 121.A N ALA 117.A O no hydrogen 3.329 N/A ALA 122.A N THR 118.A O no hydrogen 2.730 N/A MET 123.A N ASP 120.A O no hydrogen 3.070 N/A ARG 124.A N ASP 120.A O no hydrogen 2.932 N/A PHE 125.A N VAL 121.A O no hydrogen 2.978 N/A LEU 126.A N VAL 121.A O no hydrogen 3.131 N/A GLU 128.A N ALA 122.A O no hydrogen 2.671 N/A TRP 131.A NE1 SER 516.A OG no hydrogen 2.691 N/A ARG 133.A N CYS 129.A O no hydrogen 3.184 N/A ARG 133.A NE THR 91.A OG1 no hydrogen 3.027 N/A ARG 133.A NH2 VAL 89.A O no hydrogen 2.955 N/A ARG 133.A NH2 GLU 128.A OE1 no hydrogen 2.858 N/A LEU 134.A N PRO 130.A O no hydrogen 3.293 N/A GLN 135.A N TRP 131.A O no hydrogen 3.044 N/A GLN 135.A NE2 ASN 176.A OD1 no hydrogen 2.721 N/A GLU 136.A N ARG 132.A O no hydrogen 2.796 N/A LEU 137.A N ARG 133.A O no hydrogen 3.040 N/A LEU 137.A N LEU 134.A O no hydrogen 2.919 N/A ARG 138.A N LEU 134.A O no hydrogen 2.733 N/A ARG 138.A NE ARG 138.A O no hydrogen 3.385 N/A ARG 138.A NH1 GLY 177.A O no hydrogen 2.885 N/A ARG 138.A NH1 ASP 179.A OD2 no hydrogen 3.082 N/A ARG 138.A NH2 ILE 141.A O no hydrogen 2.517 N/A ARG 138.A NH2 ILE 144.A O no hydrogen 2.844 N/A GLU 139.A N GLN 135.A O no hydrogen 3.061 N/A LEU 140.A N GLU 136.A O no hydrogen 3.400 N/A ILE 141.A N LEU 137.A O no hydrogen 2.799 N/A ASN 143.A ND2 ALA 102.A O no hydrogen 2.649 N/A PHE 146.A N ASP 179.A OD2 no hydrogen 2.665 N/A GLN 147.A N MET 111.A O no hydrogen 2.988 N/A MET 148.A N VAL 180.A O no hydrogen 3.275 N/A LEU 150.A N ARG 182.A O no hydrogen 2.791 N/A ARG 151.A N ALA 155.A O no hydrogen 2.968 N/A GLY 152.A N PHE 184.A O no hydrogen 3.207 N/A ASN 154.A ND2 THR 159.A O no hydrogen 3.436 N/A GLY 157.A N ASN 154.A O no hydrogen 2.861 N/A TYR 158.A N TYR 161.A OH no hydrogen 2.715 N/A ASN 160.A ND2 TYR 458.A O no hydrogen 3.039 N/A TYR 161.A OH MET 519.A O no hydrogen 3.103 N/A ASN 164.A ND2 LEU 492.A O no hydrogen 3.330 N/A VAL 165.A N PRO 162.A O no hydrogen 2.890 N/A PHE 167.A N ASP 163.A O no hydrogen 3.490 N/A LYS 168.A N ASN 164.A O no hydrogen 3.417 N/A LYS 168.A NZ GLU 171.A OE1 no hydrogen 3.476 N/A LYS 168.A NZ GLU 171.A OE2 no hydrogen 2.974 N/A PHE 169.A N VAL 165.A O no hydrogen 2.611 N/A CYS 170.A N VAL 166.A O no hydrogen 3.347 N/A CYS 170.A SG VAL 166.A O no hydrogen 3.006 N/A GLU 171.A N PHE 167.A O no hydrogen 2.968 N/A VAL 172.A N LYS 168.A O no hydrogen 3.141 N/A ALA 173.A N PHE 169.A O no hydrogen 2.804 N/A LYS 174.A N CYS 170.A O no hydrogen 2.852 N/A GLU 175.A N GLU 171.A O no hydrogen 3.243 N/A ASN 176.A N VAL 172.A O no hydrogen 2.784 N/A ASN 176.A ND2 VAL 172.A O no hydrogen 3.030 N/A ASN 176.A ND2 GLU 512.A OE2 no hydrogen 3.362 N/A GLY 177.A N LYS 174.A O no hydrogen 3.389 N/A MET 178.A N ALA 173.A O no hydrogen 2.912 N/A ASP 179.A N PHE 146.A O no hydrogen 3.108 N/A VAL 180.A N PHE 146.A O no hydrogen 3.039 N/A PHE 181.A N VAL 206.A O no hydrogen 2.825 N/A ARG 182.A N MET 148.A O no hydrogen 3.025 N/A ARG 182.A NE GLU 208.A OE1 no hydrogen 3.021 N/A ARG 182.A NH1 ASP 302.A OD2 no hydrogen 2.848 N/A ARG 182.A NH2 GLU 208.A OE1 no hydrogen 3.478 N/A ARG 182.A NH2 ASP 302.A OD1 no hydrogen 3.282 N/A ARG 182.A NH2 ASP 302.A OD2 no hydrogen 2.963 N/A PHE 184.A N LEU 150.A O no hydrogen 3.095 N/A LEU 187.A N ASP 185.A OD1 no hydrogen 3.241 N/A ASN 188.A N ASP 185.A O no hydrogen 3.103 N/A ASN 188.A ND2 SER 212.A O no hydrogen 2.963 N/A TYR 189.A N ASP 185.A OD1 no hydrogen 2.905 N/A ASN 192.A N TYR 189.A O no hydrogen 2.909 N/A ASN 192.A ND2 ILE 459.A O no hydrogen 2.717 N/A MET 193.A N TYR 189.A O no hydrogen 3.402 N/A LEU 194.A N LEU 190.A O no hydrogen 2.723 N/A LEU 195.A N PRO 191.A O no hydrogen 3.289 N/A GLY 196.A N ASN 192.A O no hydrogen 3.194 N/A MET 197.A N MET 193.A O no hydrogen 3.116 N/A GLU 198.A N LEU 194.A O no hydrogen 2.752 N/A ALA 199.A N LEU 195.A O no hydrogen 3.225 N/A ALA 200.A N GLY 196.A O no hydrogen 3.056 N/A GLY 201.A N MET 197.A O no hydrogen 2.734 N/A SER 202.A N GLU 198.A O no hydrogen 2.570 N/A SER 202.A OG GLU 198.A O no hydrogen 3.063 N/A SER 202.A OG ALA 199.A O no hydrogen 3.122 N/A ALA 203.A N ALA 199.A O no hydrogen 2.858 N/A GLY 204.A N GLY 201.A O no hydrogen 3.208 N/A GLY 205.A N ALA 200.A O no hydrogen 3.044 N/A VAL 206.A N ASP 179.A O no hydrogen 2.965 N/A GLU 208.A N PHE 181.A O no hydrogen 2.798 N/A ALA 209.A N THR 242.A OG1 no hydrogen 3.157 N/A ALA 210.A N VAL 183.A O no hydrogen 2.845 N/A ILE 211.A N CYS 246.A O no hydrogen 2.817 N/A SER 212.A N ASN 188.A OD1 no hydrogen 3.332 N/A SER 212.A OG ASP 185.A O no hydrogen 3.190 N/A TYR 213.A N LYS 248.A O no hydrogen 3.134 N/A THR 214.A N TYR 230.A OH no hydrogen 2.961 N/A VAL 217.A N TYR 213.A OH no hydrogen 3.371 N/A ASP 219.A N ASP 216.A O no hydrogen 2.810 N/A SER 221.A OG ASP 219.A OD2 no hydrogen 3.108 N/A ARG 222.A N ASP 219.A OD1 no hydrogen 2.942 N/A LYS 224.A NZ TYR 225.A OH no hydrogen 2.730 N/A LYS 224.A NZ GLY 409.A O no hydrogen 3.526 N/A LYS 224.A NZ ASP 410.A O no hydrogen 3.312 N/A LYS 224.A NZ HIS 463.A O no hydrogen 2.274 N/A TYR 225.A OH ASP 410.A O no hydrogen 2.646 N/A TYR 229.A N SER 226.A O no hydrogen 2.624 N/A TYR 230.A N SER 226.A O no hydrogen 3.222 N/A TYR 230.A OH THR 214.A O no hydrogen 2.908 N/A MET 231.A N LEU 227.A O no hydrogen 2.934 N/A GLY 232.A N GLN 228.A O no hydrogen 3.241 N/A LEU 233.A N TYR 229.A O no hydrogen 3.223 N/A ALA 234.A N TYR 230.A O no hydrogen 2.875 N/A GLU 235.A N MET 231.A O no hydrogen 3.366 N/A GLU 236.A N GLY 232.A O no hydrogen 3.382 N/A LEU 237.A N LEU 233.A O no hydrogen 3.056 N/A VAL 238.A N ALA 234.A O no hydrogen 2.580 N/A ARG 239.A N GLU 235.A O no hydrogen 2.668 N/A ARG 239.A NH2 GLU 236.A OE2 no hydrogen 3.461 N/A ALA 240.A N GLU 236.A O no hydrogen 2.650 N/A GLY 241.A N VAL 238.A O no hydrogen 3.157 N/A THR 242.A OG1 VAL 207.A O no hydrogen 3.003 N/A THR 242.A OG1 ILE 244.A O no hydrogen 2.669 N/A HIS 243.A N VAL 207.A O no hydrogen 2.943 N/A ILE 244.A N VAL 207.A O no hydrogen 2.931 N/A LEU 245.A N PRO 274.A O no hydrogen 2.914 N/A CYS 246.A N ALA 209.A O no hydrogen 2.787 N/A CYS 246.A SG HIS 276.A O no hydrogen 3.707 N/A ILE 247.A N HIS 276.A O no hydrogen 2.883 N/A LYS 248.A N ILE 211.A O no hydrogen 2.626 N/A ASP 249.A N HIS 278.A O no hydrogen 2.852 N/A GLY 252.A N ASP 249.A O no hydrogen 3.224 N/A LEU 253.A N ASP 249.A OD2 no hydrogen 2.841 N/A LEU 254.A N ASP 249.A OD1 no hydrogen 2.673 N/A CYS 259.A N LYS 255.A O no hydrogen 2.780 N/A CYS 259.A SG LYS 255.A O no hydrogen 3.078 N/A CYS 259.A SG ALA 289.A O no hydrogen 3.858 N/A THR 260.A N PRO 256.A O no hydrogen 2.810 N/A THR 260.A OG1 PRO 256.A O no hydrogen 3.119 N/A MET 261.A N THR 257.A O no hydrogen 3.263 N/A LEU 262.A N ALA 258.A O no hydrogen 2.966 N/A VAL 263.A N CYS 259.A O no hydrogen 3.031 N/A SER 264.A N THR 260.A O no hydrogen 3.128 N/A SER 264.A OG THR 260.A O no hydrogen 2.948 N/A SER 264.A OG MET 261.A O no hydrogen 2.785 N/A SER 265.A N MET 261.A O no hydrogen 3.107 N/A SER 265.A OG MET 261.A O no hydrogen 2.805 N/A SER 265.A OG LEU 262.A O no hydrogen 3.008 N/A LEU 266.A N VAL 263.A O no hydrogen 2.897 N/A ARG 267.A N VAL 263.A O no hydrogen 2.618 N/A ARG 267.A NE GLY 297.A O no hydrogen 3.466 N/A ARG 267.A NH1 PHE 270.A O no hydrogen 3.011 N/A ARG 267.A NH1 LEU 273.A O no hydrogen 2.681 N/A ARG 267.A NH2 LEU 273.A O no hydrogen 3.163 N/A ARG 267.A NH2 GLY 297.A O no hydrogen 3.029 N/A ASP 268.A N SER 264.A O no hydrogen 2.671 N/A ARG 269.A N SER 265.A O no hydrogen 3.289 N/A PHE 270.A N LEU 266.A O no hydrogen 2.827 N/A LEU 273.A N PHE 270.A O no hydrogen 3.086 N/A LEU 275.A N ASP 299.A OD2 no hydrogen 2.979 N/A HIS 276.A N LEU 245.A O no hydrogen 2.812 N/A HIS 276.A ND1 GLU 208.A OE2 no hydrogen 2.355 N/A ILE 277.A N VAL 300.A O no hydrogen 2.955 N/A HIS 278.A N ILE 247.A O no hydrogen 3.113 N/A HIS 278.A ND1 ASP 302.A OD2 no hydrogen 2.692 N/A THR 279.A OG1 ASP 249.A OD1 no hydrogen 3.104 N/A THR 279.A OG1 HIS 280.A O no hydrogen 3.570 N/A HIS 280.A NE2 ASP 79.A OD1 no hydrogen 3.018 N/A ASP 281.A N SER 313.A O no hydrogen 2.739 N/A SER 283.A OG GLY 252.A O no hydrogen 3.075 N/A SER 283.A OG TYR 369.A OH no hydrogen 3.344 N/A ALA 288.A N ALA 285.A O no hydrogen 3.167 N/A MET 290.A N GLY 286.A O no hydrogen 2.591 N/A LEU 291.A N VAL 287.A O no hydrogen 2.883 N/A ALA 292.A N ALA 288.A O no hydrogen 3.200 N/A CYS 293.A N ALA 289.A O no hydrogen 3.110 N/A CYS 293.A SG ALA 289.A O no hydrogen 3.208 N/A ALA 294.A N MET 290.A O no hydrogen 3.055 N/A GLN 295.A N LEU 291.A O no hydrogen 3.090 N/A ALA 296.A N ALA 292.A O no hydrogen 2.971 N/A GLY 297.A N ALA 294.A O no hydrogen 2.454 N/A ALA 298.A N CYS 293.A O no hydrogen 2.696 N/A ASP 299.A N LEU 275.A O no hydrogen 3.028 N/A VAL 300.A N LEU 275.A O no hydrogen 2.906 N/A VAL 301.A N LEU 71.A O no hydrogen 3.203 N/A ASP 302.A N ILE 277.A O no hydrogen 2.761 N/A VAL 303.A N MET 73.A O no hydrogen 2.953 N/A ALA 304.A N PRO 315.A O no hydrogen 3.401 N/A ALA 305.A N THR 76.A OG1 no hydrogen 2.798 N/A SER 307.A N SER 342.A OG no hydrogen 2.967 N/A SER 307.A OG SER 342.A O no hydrogen 2.956 N/A SER 307.A OG SER 342.A OG no hydrogen 3.178 N/A MET 308.A N ALA 305.A O no hydrogen 2.743 N/A SER 309.A N ASP 306.A O no hydrogen 2.895 N/A SER 309.A OG ALA 305.A O no hydrogen 3.451 N/A SER 309.A OG ASP 306.A O no hydrogen 2.715 N/A GLY 310.A N GLN 314.A O no hydrogen 2.858 N/A THR 312.A OG1 SER 83.A O no hydrogen 3.505 N/A THR 312.A OG1 THR 379.A OG1 no hydrogen 2.660 N/A SER 313.A N GLY 310.A O no hydrogen 2.895 N/A SER 313.A OG MET 308.A O no hydrogen 2.872 N/A GLN 314.A N SER 313.A OG no hydrogen 2.618 N/A SER 316.A OG ASP 306.A OD2 no hydrogen 2.966 N/A MET 317.A N ALA 304.A O no hydrogen 2.927 N/A GLY 318.A N ASP 306.A OD1 no hydrogen 2.824 N/A ALA 319.A N SER 316.A O no hydrogen 2.903 N/A ALA 319.A N SER 316.A OG no hydrogen 2.921 N/A LEU 320.A N SER 316.A O no hydrogen 3.082 N/A VAL 321.A N MET 317.A O no hydrogen 2.928 N/A ALA 322.A N GLY 318.A O no hydrogen 2.973 N/A CYS 323.A N ALA 319.A O no hydrogen 3.018 N/A CYS 323.A SG ALA 319.A O no hydrogen 2.989 N/A THR 324.A N LEU 320.A O no hydrogen 3.000 N/A THR 324.A OG1 LEU 329.A O no hydrogen 3.024 N/A ARG 325.A N VAL 321.A O no hydrogen 3.235 N/A GLY 326.A N ASP 330.A OD2 no hydrogen 3.072 N/A THR 327.A OG1 THR 324.A O no hydrogen 2.596 N/A LEU 329.A N THR 327.A OG1 no hydrogen 3.026 N/A ASP 330.A N THR 327.A O no hydrogen 3.072 N/A GLU 332.A N ASP 330.A OD1 no hydrogen 2.578 N/A ARG 337.A N PRO 334.A O no hydrogen 2.827 N/A ARG 337.A NH1 ASN 104.A O no hydrogen 2.690 N/A PHE 339.A N MET 335.A O no hydrogen 3.123 N/A ASP 340.A N GLU 336.A O no hydrogen 3.243 N/A TYR 341.A N ARG 337.A O no hydrogen 3.076 N/A TYR 341.A OH ASP 74.A OD2 no hydrogen 3.277 N/A SER 342.A N VAL 338.A O no hydrogen 2.891 N/A SER 342.A OG SER 307.A OG no hydrogen 3.178 N/A GLU 343.A N PHE 339.A O no hydrogen 2.614 N/A TYR 344.A N ASP 340.A O no hydrogen 3.042 N/A TYR 344.A OH ASP 93.A O no hydrogen 2.603 N/A TRP 345.A N TYR 341.A O no hydrogen 3.135 N/A GLU 346.A N SER 342.A O no hydrogen 2.743 N/A GLY 347.A N GLU 343.A O no hydrogen 3.416 N/A ALA 348.A N TYR 344.A O no hydrogen 2.861 N/A ARG 349.A N TRP 345.A O no hydrogen 2.855 N/A ARG 349.A NE ASP 356.A OD1 no hydrogen 2.878 N/A ARG 349.A NE ASP 356.A OD2 no hydrogen 2.953 N/A ARG 349.A NH1 SER 307.A O no hydrogen 2.955 N/A ARG 349.A NH2 ASP 356.A OD2 no hydrogen 2.509 N/A GLY 350.A N GLY 347.A O no hydrogen 2.801 N/A LEU 351.A N ALA 348.A O no hydrogen 3.049 N/A TYR 352.A OH ASP 93.A OD2 no hydrogen 2.970 N/A PHE 355.A N TYR 352.A O no hydrogen 3.216 N/A ASP 356.A N ALA 353.A O no hydrogen 3.438 N/A CYS 357.A N LEU 84.A O no hydrogen 3.394 N/A CYS 357.A SG LEU 84.A O no hydrogen 3.598 N/A ALA 359.A N ASP 356.A O no hydrogen 2.899 N/A THR 360.A N CYS 357.A O no hydrogen 2.993 N/A THR 360.A OG1 CYS 357.A O no hydrogen 3.470 N/A THR 360.A OG1 HIS 382.A ND1 no hydrogen 2.939 N/A MET 361.A N CYS 357.A O no hydrogen 2.796 N/A SER 363.A OG GLY 364.A O no hydrogen 3.012 N/A ASN 365.A N THR 282.A O no hydrogen 2.820 N/A VAL 368.A N ASN 365.A O no hydrogen 3.285 N/A TYR 369.A N SER 366.A O no hydrogen 3.026 N/A GLU 370.A N ASP 367.A O no hydrogen 2.962 N/A ASN 371.A N ASP 367.A O no hydrogen 3.302 N/A ASN 371.A ND2 ASP 367.A OD2 no hydrogen 3.151 N/A GLU 372.A N VAL 368.A O no hydrogen 2.833 N/A ILE 373.A N ASN 371.A OD1 no hydrogen 3.003 N/A GLY 375.A N MET 250.A O no hydrogen 3.164 N/A GLN 377.A NE2 SER 418.A O no hydrogen 3.118 N/A TYR 378.A N PRO 374.A O no hydrogen 2.775 N/A TYR 378.A OH ASP 367.A OD1 no hydrogen 3.131 N/A TYR 378.A OH ASP 367.A OD2 no hydrogen 2.647 N/A THR 379.A N GLY 375.A O no hydrogen 3.070 N/A THR 379.A OG1 SER 83.A O no hydrogen 3.412 N/A THR 379.A OG1 THR 312.A OG1 no hydrogen 2.660 N/A THR 379.A OG1 GLY 375.A O no hydrogen 3.246 N/A ASN 380.A N GLY 376.A O no hydrogen 3.209 N/A LEU 381.A N GLN 377.A O no hydrogen 2.971 N/A HIS 382.A N TYR 378.A O no hydrogen 2.816 N/A HIS 382.A ND1 THR 360.A OG1 no hydrogen 2.939 N/A PHE 383.A N THR 379.A O no hydrogen 2.907 N/A GLN 384.A N ASN 380.A O no hydrogen 2.860 N/A ALA 385.A N LEU 381.A O no hydrogen 3.125 N/A HIS 386.A N HIS 382.A O no hydrogen 3.118 N/A SER 387.A N PHE 383.A O no hydrogen 2.589 N/A SER 387.A OG PHE 383.A O no hydrogen 2.739 N/A SER 387.A OG GLN 384.A O no hydrogen 2.842 N/A MET 388.A N ALA 385.A O no hydrogen 3.069 N/A GLY 389.A N HIS 386.A O no hydrogen 2.963 N/A PHE 394.A N LEU 390.A O no hydrogen 3.226 N/A VAL 397.A N LYS 393.A O no hydrogen 3.140 N/A LYS 398.A N PHE 394.A O no hydrogen 3.067 N/A LYS 398.A NZ ASN 365.A OD1 no hydrogen 3.287 N/A LYS 398.A NZ ASP 367.A OD1 no hydrogen 2.505 N/A LYS 399.A N LYS 395.A O no hydrogen 3.231 N/A ALA 400.A N GLU 396.A O no hydrogen 3.020 N/A TYR 401.A N VAL 397.A O no hydrogen 2.795 N/A TYR 401.A OH SER 418.A O no hydrogen 3.277 N/A VAL 402.A N LYS 398.A O no hydrogen 3.279 N/A GLU 403.A N LYS 399.A O no hydrogen 3.207 N/A ALA 404.A N ALA 400.A O no hydrogen 2.765 N/A ASN 405.A N TYR 401.A O no hydrogen 2.750 N/A ASN 405.A ND2 LEU 411.A O no hydrogen 3.308 N/A GLN 406.A N VAL 402.A O no hydrogen 2.696 N/A GLN 406.A NE2 ASN 405.A OD1 no hydrogen 3.480 N/A GLN 406.A NE2 ASP 410.A OD2 no hydrogen 3.271 N/A MET 407.A N GLU 403.A O no hydrogen 2.668 N/A LEU 408.A N ALA 404.A O no hydrogen 3.121 N/A LEU 408.A N ASN 405.A O no hydrogen 3.263 N/A GLY 409.A N GLN 406.A O no hydrogen 2.900 N/A ASP 410.A N ASN 405.A O no hydrogen 2.812 N/A LYS 413.A NZ ASN 371.A O no hydrogen 3.355 N/A LYS 413.A NZ GLU 372.A OE2 no hydrogen 2.960 N/A VAL 414.A N SER 417.A OG no hydrogen 3.057 N/A SER 417.A N SER 186.A OG no hydrogen 3.321 N/A SER 417.A OG SER 186.A O no hydrogen 3.340 N/A SER 417.A OG ILE 412.A O no hydrogen 2.483 N/A SER 417.A OG VAL 414.A O no hydrogen 3.325 N/A SER 418.A N VAL 414.A O no hydrogen 2.681 N/A SER 418.A OG THR 415.A O no hydrogen 3.364 N/A LYS 419.A N PRO 416.A O no hydrogen 3.294 N/A ILE 420.A N SER 417.A O no hydrogen 2.697 N/A VAL 421.A N SER 417.A O no hydrogen 3.294 N/A GLY 422.A N SER 418.A O no hydrogen 3.271 N/A ASP 423.A N LYS 419.A O no hydrogen 3.215 N/A LEU 424.A N ILE 420.A O no hydrogen 3.190 N/A ALA 425.A N VAL 421.A O no hydrogen 2.837 N/A GLN 426.A N GLY 422.A O no hydrogen 2.813 N/A PHE 427.A N ASP 423.A O no hydrogen 2.600 N/A MET 428.A N LEU 424.A O no hydrogen 2.917 N/A VAL 429.A N ALA 425.A O no hydrogen 3.131 N/A GLN 430.A N GLN 426.A O no hydrogen 2.883 N/A ASN 431.A N MET 428.A O no hydrogen 3.067 N/A ASN 431.A ND2 GLN 430.A O no hydrogen 2.918 N/A GLY 432.A N VAL 429.A O no hydrogen 3.083 N/A LEU 433.A N MET 428.A O no hydrogen 2.731 N/A SER 434.A N GLU 437.A OE2 no hydrogen 3.094 N/A ARG 435.A N GLU 403.A OE2 no hydrogen 3.375 N/A ARG 435.A NE GLU 439.A OE2 no hydrogen 2.930 N/A ARG 435.A NH2 GLU 439.A OE2 no hydrogen 3.138 N/A GLU 437.A N SER 434.A OG no hydrogen 2.924 N/A ALA 438.A N SER 434.A O no hydrogen 2.602 N/A GLU 439.A N ARG 435.A O no hydrogen 2.792 N/A ALA 440.A N ALA 436.A O no hydrogen 2.788 N/A GLN 441.A N GLU 437.A O no hydrogen 3.074 N/A ALA 442.A N GLU 439.A O no hydrogen 2.876 N/A GLU 444.A N GLN 441.A O no hydrogen 3.145 N/A SER 450.A OG ASP 423.A OD1 no hydrogen 2.597 N/A VAL 452.A N PRO 448.A O no hydrogen 3.035 N/A GLU 453.A N ARG 449.A O no hydrogen 3.032 N/A PHE 454.A N SER 450.A O no hydrogen 3.022 N/A LEU 455.A N VAL 451.A O no hydrogen 3.167 N/A GLN 456.A N GLU 453.A O no hydrogen 3.254 N/A GLY 457.A N PHE 454.A O no hydrogen 2.641 N/A TYR 458.A N GLU 453.A O no hydrogen 3.084 N/A GLY 465.A N PRO 462.A O no hydrogen 2.758 N/A GLU 468.A N PHE 466.A O no hydrogen 2.579 N/A PHE 470.A N PRO 467.A O no hydrogen 2.831 N/A ARG 471.A N PRO 467.A O no hydrogen 2.708 N/A ARG 471.A NE LEU 455.A O no hydrogen 2.759 N/A ARG 471.A NH1 GLU 468.A OE1 no hydrogen 3.466 N/A ARG 471.A NH2 LEU 455.A O no hydrogen 2.985 N/A SER 472.A N GLU 468.A O no hydrogen 3.407 N/A SER 472.A OG GLU 468.A O no hydrogen 2.927 N/A SER 472.A OG GLU 468.A OE2 no hydrogen 2.930 N/A LEU 475.A N ARG 471.A O no hydrogen 2.949 N/A LYS 476.A N SER 472.A O no hydrogen 2.831 N/A LYS 476.A NZ VAL 474.A O no hydrogen 2.686 N/A VAL 481.A N GLN 456.A O no hydrogen 2.963 N/A ARG 484.A NH2 ASP 163.A OD1 no hydrogen 3.016 N/A ALA 487.A N ARG 484.A O no hydrogen 2.740 N/A SER 488.A OG PRO 485.A O no hydrogen 3.042 N/A LEU 489.A N GLY 486.A O no hydrogen 3.262 N/A GLN 495.A N ASP 493.A OD2 no hydrogen 2.971 N/A ALA 496.A N ASP 493.A OD2 no hydrogen 3.221 N/A LEU 497.A N ASP 493.A O no hydrogen 3.236 N/A GLU 498.A N LEU 494.A O no hydrogen 2.447 N/A LYS 499.A N GLN 495.A O no hydrogen 2.862 N/A GLU 500.A N ALA 496.A O no hydrogen 3.201 N/A LEU 501.A N GLU 498.A O no hydrogen 3.064 N/A VAL 502.A N GLU 498.A O no hydrogen 2.922 N/A ASP 503.A N LYS 499.A O no hydrogen 2.670 N/A ARG 504.A N LEU 501.A O no hydrogen 3.100 N/A GLY 506.A N VAL 502.A O no hydrogen 3.078 N/A THR 510.A N ASP 513.A OD2 no hydrogen 3.052 N/A THR 510.A OG1 GLU 512.A OE1 no hydrogen 2.718 N/A ASP 513.A N THR 510.A OG1 no hydrogen 3.288 N/A VAL 514.A N THR 510.A O no hydrogen 2.945 N/A LEU 515.A N PRO 511.A O no hydrogen 3.115 N/A SER 516.A N GLU 512.A O no hydrogen 2.866 N/A SER 516.A OG GLU 512.A O no hydrogen 3.226 N/A ALA 517.A N ASP 513.A O no hydrogen 2.760 N/A ALA 518.A N VAL 514.A O no hydrogen 2.753 N/A MET 519.A N LEU 515.A O no hydrogen 2.842 N/A TYR 520.A N SER 516.A O no hydrogen 2.621 N/A TYR 520.A OH VAL 156.A O no hydrogen 2.801 N/A PHE 524.A N TYR 520.A O no hydrogen 2.909 N/A ALA 525.A N PRO 521.A O no hydrogen 3.104 N/A HIS 526.A N ASP 522.A O no hydrogen 2.782 N/A PHE 527.A N VAL 523.A O no hydrogen 2.914 N/A LYS 528.A N PHE 524.A O no hydrogen 2.727 N/A ASP 529.A N ALA 525.A O no hydrogen 2.902 N/A PHE 530.A N HIS 526.A O no hydrogen 2.914 N/A THR 531.A N PHE 527.A O no hydrogen 3.168 N/A THR 531.A OG1 PHE 527.A O no hydrogen 3.286 N/A THR 531.A OG1 LYS 528.A O no hydrogen 3.070 N/A ALA 532.A N LYS 528.A O no hydrogen 2.876 N/A THR 533.A N ASP 529.A O no hydrogen 3.302 N/A THR 533.A OG1 PHE 530.A O no hydrogen 3.446 N/A PHE 534.A N PHE 530.A O no hydrogen 2.950 N/A PHE 534.A N THR 531.A O no hydrogen 3.211 N/A LEU 537.A N GLY 535.A O no hydrogen 2.908 N/A SER 539.A N PRO 536.A O no hydrogen 3.105 N/A SER 539.A OG PRO 536.A O no hydrogen 2.671 N/A THR 542.A OG1 ASP 93.A OD2 no hydrogen 2.294 N/A THR 542.A OG1 TYR 352.A OH no hydrogen 2.918 N/A ARG 543.A NE SER 30.A O no hydrogen 3.101 N/A ARG 543.A NH1 ASP 33.A OD2 no hydrogen 3.095 N/A ARG 543.A NH2 SER 30.A O no hydrogen 2.479 N/A LEU 544.A N ASN 541.A OD1 no hydrogen 2.992 N/A PHE 545.A N ASN 541.A O no hydrogen 3.073 N/A LEU 546.A N THR 542.A O no hydrogen 2.851 N/A GLN 547.A N ARG 543.A O no hydrogen 2.770 N/A GLN 547.A NE2 SER 28.A OG no hydrogen 3.326 N/A GLU 553.A N LYS 550.A O no hydrogen 2.766 N/A PHE 555.A N ILE 567.A O no hydrogen 2.599 N/A VAL 557.A N THR 564.A O no hydrogen 3.127 N/A VAL 557.A N LEU 565.A O no hydrogen 3.103 N/A HIS 566.A N ASN 588.A OD1 no hydrogen 3.307 N/A ILE 567.A N PHE 555.A O no hydrogen 2.574 N/A LYS 568.A NZ GLU 554.A OE1 no hydrogen 3.361 N/A LEU 575.A N SER 573.A O no hydrogen 2.350 N/A ARG 577.A N ASP 574.A O no hydrogen 2.700 N/A GLY 579.A N ASN 576.A O no hydrogen 2.924 N/A ARG 581.A NH2 LEU 575.A O no hydrogen 3.304 N/A VAL 583.A N ILE 594.A O no hydrogen 3.126 N/A ALA 584.A N ALA 571.A O no hydrogen 2.722 N/A PHE 585.A N ARG 592.A O no hydrogen 2.525 N/A GLU 586.A N LYS 568.A O no hydrogen 3.003 N/A ASN 588.A N HIS 566.A O no hydrogen 2.667 N/A ARG 592.A N PHE 585.A O no hydrogen 2.809 N/A ARG 592.A NE GLN 590.A OE1 no hydrogen 3.188 N/A ILE 594.A N VAL 583.A O no hydrogen 2.990 N/A VAL 596.A N ARG 581.A O no hydrogen 2.955 N/A THR 599.A OG1 ASN 17.A OD1 no hydrogen 2.914 N/A THR 599.A OG1 LYS 597.A O no hydrogen 3.230 N/A ALA 601.A N ASP 598.A O no hydrogen 2.830 N/A