Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wdm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N VAL 10.A O no hydrogen 3.256 N/A GLY 5.A N ILE 8.A O no hydrogen 2.807 N/A LYS 6.A N GLU 39.A OE1 no hydrogen 2.766 N/A LYS 6.A N GLU 39.A OE2 no hydrogen 3.148 N/A ALA 7.A N GLU 39.A OE2 no hydrogen 3.025 N/A ILE 8.A N GLU 39.A OE2 no hydrogen 3.082 N/A THR 9.A N LYS 21.A O no hydrogen 3.123 N/A VAL 10.A N TYR 3.A O no hydrogen 3.036 N/A THR 11.A N GLU 19.A O no hydrogen 2.956 N/A LEU 13.A N ILE 17.A O no hydrogen 2.802 N/A ILE 17.A N GLU 14.A O no hydrogen 2.590 N/A VAL 18.A N GLY 55.A O no hydrogen 2.730 N/A GLU 19.A N THR 11.A O no hydrogen 2.776 N/A LEU 20.A N ILE 57.A O no hydrogen 2.659 N/A LYS 21.A N THR 9.A O no hydrogen 3.250 N/A PHE 22.A N SER 59.A O no hydrogen 2.868 N/A ASP 23.A N ALA 7.A O no hydrogen 2.891 N/A LEU 24.A N ASN 30.A OD1 no hydrogen 3.429 N/A LYS 25.A N LYS 6.A O no hydrogen 2.860 N/A ASN 30.A ND2 PHE 22.A O no hydrogen 3.051 N/A ASN 30.A ND2 PHE 65.A O no hydrogen 3.181 N/A ASN 33.A N LYS 31.A O no hydrogen 3.139 N/A THR 36.A N ASN 33.A OD1 no hydrogen 2.815 N/A THR 36.A OG1 LYS 31.A O no hydrogen 2.714 N/A LEU 37.A N ASN 33.A O no hydrogen 3.169 N/A ASN 38.A N ARG 34.A O no hydrogen 2.980 N/A GLU 39.A N LEU 35.A O no hydrogen 2.796 N/A LEU 40.A N THR 36.A O no hydrogen 2.965 N/A ARG 41.A N LEU 37.A O no hydrogen 2.912 N/A ARG 41.A NE ARG 41.A O no hydrogen 3.010 N/A ARG 41.A NH1 ASP 98.A OD2 no hydrogen 3.110 N/A GLN 42.A N ASN 38.A O no hydrogen 3.237 N/A ALA 43.A N GLU 39.A O no hydrogen 2.602 N/A VAL 44.A N LEU 40.A O no hydrogen 2.900 N/A ASP 45.A N ARG 41.A O no hydrogen 3.112 N/A ALA 46.A N GLN 42.A O no hydrogen 2.911 N/A ILE 47.A N ALA 43.A O no hydrogen 3.153 N/A LYS 48.A N VAL 44.A O no hydrogen 2.684 N/A ALA 49.A N ASP 45.A O no hydrogen 2.979 N/A ASP 50.A N ALA 46.A O no hydrogen 2.802 N/A ASP 50.A N ILE 47.A O no hydrogen 2.839 N/A SER 52.A N ASP 50.A OD2 no hydrogen 2.890 N/A SER 52.A OG ASP 50.A OD1 no hydrogen 2.934 N/A SER 52.A OG ASP 50.A OD2 no hydrogen 2.478 N/A LYS 54.A N GLY 16.A O no hydrogen 3.186 N/A VAL 56.A N PRO 105.A O no hydrogen 2.959 N/A ILE 57.A N VAL 18.A O no hydrogen 2.890 N/A VAL 58.A N VAL 107.A O no hydrogen 2.746 N/A SER 59.A N LEU 20.A O no hydrogen 2.872 N/A SER 60.A OG VAL 64.A O no hydrogen 2.685 N/A SER 60.A OG PHE 65.A O no hydrogen 3.132 N/A GLY 61.A N PHE 22.A O no hydrogen 3.031 N/A LYS 62.A N SER 60.A OG no hydrogen 3.362 N/A PHE 65.A N ILE 113.A O no hydrogen 2.846 N/A ILE 66.A N ILE 113.A O no hydrogen 3.142 N/A VAL 67.A N ASN 30.A O no hydrogen 2.749 N/A PHE 74.A N ASP 70.A O no hydrogen 3.452 N/A VAL 75.A N ILE 71.A O no hydrogen 3.214 N/A GLU 76.A N THR 72.A O no hydrogen 3.282 N/A ASN 77.A N GLU 73.A O no hydrogen 2.927 N/A PHE 78.A N PHE 74.A O no hydrogen 3.019 N/A LYS 79.A N GLU 76.A O no hydrogen 2.885 N/A LEU 80.A N ASN 77.A O no hydrogen 3.062 N/A GLU 84.A N PRO 81.A O no hydrogen 2.749 N/A LEU 85.A N PRO 81.A O no hydrogen 2.949 N/A ILE 86.A N ASP 82.A O no hydrogen 3.049 N/A ALA 87.A N ALA 83.A O no hydrogen 3.306 N/A GLY 88.A N GLU 84.A O no hydrogen 2.827 N/A GLY 88.A N LEU 85.A O no hydrogen 2.798 N/A ASN 89.A N LEU 85.A O no hydrogen 2.882 N/A LEU 90.A N ILE 86.A O no hydrogen 2.788 N/A GLU 91.A N ALA 87.A O no hydrogen 3.479 N/A ALA 92.A N GLY 88.A O no hydrogen 3.284 N/A ASN 93.A N ASN 89.A O no hydrogen 2.816 N/A ASN 93.A ND2 ASN 89.A O no hydrogen 3.044 N/A ASN 93.A ND2 GLY 148.A O no hydrogen 3.312 N/A LYS 94.A N LEU 90.A O no hydrogen 3.004 N/A ILE 95.A N GLU 91.A O no hydrogen 3.441 N/A ILE 95.A N ALA 92.A O no hydrogen 3.251 N/A SER 97.A N ASN 93.A O no hydrogen 2.738 N/A SER 97.A OG ASN 93.A O no hydrogen 3.088 N/A ASP 98.A N LYS 94.A O no hydrogen 2.732 N/A PHE 99.A N ILE 95.A O no hydrogen 3.276 N/A GLU 100.A N PHE 96.A O no hydrogen 2.796 N/A ASP 101.A N SER 97.A O no hydrogen 2.891 N/A ASP 101.A N ASP 98.A O no hydrogen 2.806 N/A THR 106.A N ASP 126.A OD2 no hydrogen 2.919 N/A THR 106.A OG1 ASP 126.A OD2 no hydrogen 3.167 N/A VAL 107.A N VAL 56.A O no hydrogen 3.074 N/A ALA 108.A N PHE 127.A O no hydrogen 3.039 N/A ALA 109.A N VAL 58.A O no hydrogen 2.766 N/A ASN 111.A ND2 LYS 62.A O no hydrogen 2.922 N/A ALA 114.A N LYS 135.A O no hydrogen 2.987 N/A LEU 115.A N ILE 66.A O no hydrogen 3.147 N/A GLY 116.A N GLY 137.A O no hydrogen 3.079 N/A GLY 118.A N LEU 115.A O no hydrogen 2.867 N/A GLU 120.A N GLY 116.A O no hydrogen 2.740 N/A MET 121.A N GLY 117.A O no hydrogen 2.818 N/A CYS 122.A SG GLY 118.A O no hydrogen 3.693 N/A LEU 123.A N LEU 119.A O no hydrogen 2.912 N/A ALA 124.A N MET 121.A O no hydrogen 3.015 N/A ASP 126.A N THR 106.A O no hydrogen 3.041 N/A ASP 126.A N THR 106.A OG1 no hydrogen 3.026 N/A PHE 127.A N THR 106.A O no hydrogen 3.109 N/A ARG 128.A N ASP 186.A OD2 no hydrogen 2.855 N/A ARG 128.A NE ALA 184.A O no hydrogen 2.816 N/A ARG 128.A NH1 ASP 126.A O no hydrogen 2.836 N/A ARG 128.A NH2 ALA 184.A O no hydrogen 3.319 N/A VAL 129.A N ALA 108.A O no hydrogen 2.951 N/A MET 130.A N ALA 187.A O no hydrogen 2.911 N/A ALA 131.A N ILE 110.A O no hydrogen 2.814 N/A ALA 134.A N ALA 131.A O no hydrogen 3.262 N/A ILE 136.A N ASN 174.A O no hydrogen 3.080 N/A GLY 137.A N ALA 114.A O no hydrogen 3.303 N/A LEU 143.A N GLU 140.A O no hydrogen 2.742 N/A GLY 144.A N VAL 141.A O no hydrogen 3.211 N/A ILE 145.A N GLU 140.A O no hydrogen 3.438 N/A TYR 146.A OH GLU 274.A O no hydrogen 2.615 N/A PHE 149.A N GLU 120.A OE2 no hydrogen 2.756 N/A GLY 150.A N GLU 274.A OE1 no hydrogen 2.727 N/A THR 152.A N GLU 274.A OE2 no hydrogen 2.850 N/A THR 152.A OG1 GLU 274.A OE2 no hydrogen 2.704 N/A VAL 153.A N GLY 150.A O no hydrogen 3.313 N/A ARG 154.A N GLY 150.A O no hydrogen 3.056 N/A ARG 154.A NE GLU 100.A OE1 no hydrogen 2.398 N/A ARG 154.A NH1 PHE 149.A O no hydrogen 3.529 N/A LEU 155.A N GLY 151.A O no hydrogen 3.162 N/A ARG 157.A NE VAL 153.A O no hydrogen 2.615 N/A ARG 157.A NH2 ALA 262.A O no hydrogen 3.277 N/A LEU 158.A N LEU 155.A O no hydrogen 3.037 N/A ILE 159.A N LEU 155.A O no hydrogen 2.924 N/A GLY 160.A N PRO 156.A O no hydrogen 3.123 N/A ASN 163.A ND2 ILE 159.A O no hydrogen 3.013 N/A ALA 164.A N GLY 160.A O no hydrogen 2.768 N/A VAL 165.A N VAL 161.A O no hydrogen 2.980 N/A GLU 166.A N ASP 162.A O no hydrogen 3.171 N/A TRP 167.A N ASN 163.A O no hydrogen 2.822 N/A ILE 168.A N ALA 164.A O no hydrogen 2.978 N/A ALA 169.A N VAL 165.A O no hydrogen 2.896 N/A SER 170.A OG GLU 166.A O no hydrogen 2.688 N/A SER 170.A OG TRP 167.A O no hydrogen 3.563 N/A GLY 171.A N TRP 167.A O no hydrogen 3.099 N/A LYS 172.A NZ GLU 166.A OE2 no hydrogen 3.337 N/A ASN 174.A N ILE 136.A O no hydrogen 2.803 N/A ASN 174.A ND2 ILE 136.A O no hydrogen 3.397 N/A ALA 179.A N ARG 175.A O no hydrogen 2.871 N/A LEU 180.A N ALA 176.A O no hydrogen 3.147 N/A LYS 181.A N GLU 177.A O no hydrogen 3.386 N/A SER 183.A N LEU 180.A O no hydrogen 3.018 N/A ALA 184.A N ALA 179.A O no hydrogen 2.884 N/A VAL 185.A N ALA 179.A O no hydrogen 3.429 N/A ASP 186.A N ARG 128.A O no hydrogen 2.928 N/A ALA 187.A N ARG 128.A O no hydrogen 3.239 N/A VAL 189.A N MET 130.A O no hydrogen 3.070 N/A LYS 193.A N THR 190.A O no hydrogen 3.247 N/A LYS 193.A N THR 190.A OG1 no hydrogen 3.343 N/A ALA 197.A N LYS 193.A O no hydrogen 3.122 N/A ALA 198.A N LEU 194.A O no hydrogen 2.974 N/A LEU 199.A N GLY 195.A O no hydrogen 3.084 N/A ASP 200.A N ALA 196.A O no hydrogen 2.869 N/A LEU 201.A N ALA 197.A O no hydrogen 2.968 N/A ILE 202.A N ALA 198.A O no hydrogen 3.013 N/A LYS 203.A N LEU 199.A O no hydrogen 3.308 N/A LYS 203.A NZ GLU 14.A OE1 no hydrogen 3.027 N/A LYS 203.A NZ GLU 14.A OE2 no hydrogen 3.313 N/A ARG 204.A N ASP 200.A O no hydrogen 3.211 N/A ARG 204.A NE ASP 200.A OD1 no hydrogen 2.854 N/A ARG 204.A NE ASP 200.A OD2 no hydrogen 3.459 N/A ARG 204.A NH1 GLU 209.A OE1 no hydrogen 2.835 N/A ARG 204.A NH1 GLU 209.A OE2 no hydrogen 3.198 N/A ALA 205.A N LEU 201.A O no hydrogen 2.870 N/A ILE 206.A N ILE 202.A O no hydrogen 2.743 N/A SER 207.A N LYS 203.A O no hydrogen 2.747 N/A SER 207.A OG LYS 203.A O no hydrogen 3.251 N/A SER 207.A OG ARG 204.A O no hydrogen 2.646 N/A GLY 208.A N ALA 205.A O no hydrogen 3.218 N/A GLU 209.A N SER 207.A OG no hydrogen 3.278 N/A LEU 210.A N ARG 204.A O no hydrogen 3.268 N/A TYR 212.A N LEU 210.A O no hydrogen 2.842 N/A LYS 213.A NZ ASN 103.A OD1 no hydrogen 2.705 N/A ALA 214.A N ASP 211.A O no hydrogen 3.041 N/A ALA 214.A N ASP 211.A OD1 no hydrogen 2.653 N/A LYS 215.A N ASP 211.A O no hydrogen 3.128 N/A LYS 215.A N TYR 212.A O no hydrogen 3.262 N/A LYS 215.A NZ ASP 126.A O no hydrogen 2.927 N/A ARG 216.A N TYR 212.A O no hydrogen 3.184 N/A ARG 216.A NE ASP 126.A OD1 no hydrogen 2.592 N/A ARG 216.A NH1 LEU 102.A O no hydrogen 2.990 N/A ARG 216.A NH2 LEU 102.A O no hydrogen 2.902 N/A ARG 216.A NH2 ASP 126.A OD1 no hydrogen 3.356 N/A ARG 216.A NH2 ASP 126.A OD2 no hydrogen 3.143 N/A GLN 217.A N LYS 213.A O no hydrogen 3.359 N/A GLN 217.A NE2 GLU 221.A OE1 no hydrogen 2.684 N/A LYS 219.A N ARG 216.A O no hydrogen 3.191 N/A LYS 219.A NZ GLU 100.A OE1 no hydrogen 2.995 N/A LYS 219.A NZ ALA 124.A O no hydrogen 3.052 N/A LEU 220.A N GLN 217.A O no hydrogen 2.717 N/A ALA 227.A N ASN 226.A OD1 no hydrogen 2.523 N/A GLN 230.A NE2 LEU 225.A O no hydrogen 3.631 N/A GLN 230.A NE2 ASN 226.A O no hydrogen 3.229 N/A GLN 230.A NE2 ASN 264.A OD1 no hydrogen 3.440 N/A MET 231.A N ALA 227.A O no hydrogen 3.365 N/A MET 232.A N ILE 228.A O no hydrogen 2.842 N/A ALA 233.A N GLU 229.A O no hydrogen 2.720 N/A PHE 234.A N GLN 230.A O no hydrogen 2.610 N/A GLU 235.A N MET 231.A O no hydrogen 2.881 N/A THR 236.A N MET 232.A O no hydrogen 3.412 N/A THR 236.A OG1 MET 232.A O no hydrogen 2.797 N/A THR 236.A OG1 ALA 233.A O no hydrogen 2.940 N/A ALA 237.A N ALA 233.A O no hydrogen 3.348 N/A LYS 238.A N PHE 234.A O no hydrogen 2.864 N/A LYS 238.A NZ GLU 235.A OE2 no hydrogen 3.558 N/A LYS 238.A NZ GLN 260.A OE1 no hydrogen 3.532 N/A GLY 239.A N GLU 235.A O no hydrogen 3.066 N/A PHE 240.A N THR 236.A O no hydrogen 2.749 N/A VAL 241.A N ALA 237.A O no hydrogen 2.895 N/A ALA 242.A N LYS 238.A O no hydrogen 2.979 N/A GLY 243.A N GLY 239.A O no hydrogen 3.197 N/A GLN 244.A N VAL 241.A O no hydrogen 2.851 N/A ALA 245.A N VAL 241.A O no hydrogen 2.641 N/A GLY 246.A N ALA 242.A O no hydrogen 3.286 N/A TYR 249.A N GLY 246.A O no hydrogen 3.340 N/A GLU 254.A N PRO 250.A O no hydrogen 2.840 N/A ALA 255.A N ALA 251.A O no hydrogen 2.879 N/A ALA 255.A N PRO 252.A O no hydrogen 3.086 N/A LYS 257.A N VAL 253.A O no hydrogen 3.084 N/A LYS 257.A NZ GLU 254.A OE2 no hydrogen 3.564 N/A THR 258.A N GLU 254.A O no hydrogen 2.906 N/A THR 258.A OG1 TYR 146.A OH no hydrogen 2.904 N/A THR 258.A OG1 GLU 254.A O no hydrogen 2.936 N/A ILE 259.A N ALA 255.A O no hydrogen 3.222 N/A GLN 260.A N ILE 256.A O no hydrogen 2.703 N/A GLN 260.A NE2 GLU 235.A OE1 no hydrogen 3.395 N/A LYS 261.A N LYS 257.A O no hydrogen 2.870 N/A ALA 262.A N THR 258.A O no hydrogen 3.354 N/A ARG 267.A NH1 ASP 101.A OD2 no hydrogen 2.921 N/A ARG 267.A NH2 ASP 101.A OD1 no hydrogen 2.542 N/A ARG 267.A NH2 ASP 101.A OD2 no hydrogen 2.642 N/A ALA 270.A N GLY 266.A O no hydrogen 3.111 N/A LEU 271.A N ARG 267.A O no hydrogen 2.769 N/A GLU 272.A N ASP 268.A O no hydrogen 3.110 N/A VAL 273.A N LYS 269.A O no hydrogen 3.268 N/A GLU 274.A N ALA 270.A O no hydrogen 3.187 N/A ALA 275.A N LEU 271.A O no hydrogen 2.973 N/A ALA 276.A N GLU 272.A O no hydrogen 2.791 N/A PHE 278.A N GLU 274.A O no hydrogen 3.019 N/A ALA 279.A N ALA 275.A O no hydrogen 2.797 N/A LEU 281.A N GLY 277.A O no hydrogen 2.825 N/A ALA 282.A N PHE 278.A O no hydrogen 3.083 N/A LYS 283.A N LYS 280.A O no hydrogen 3.031 N/A THR 284.A N LEU 281.A O no hydrogen 2.808 N/A THR 284.A OG1 LEU 281.A O no hydrogen 2.549 N/A SER 287.A N THR 284.A OG1 no hydrogen 3.419 N/A SER 287.A OG LEU 143.A O no hydrogen 3.256 N/A CYS 289.A N ALA 286.A O no hydrogen 3.080 N/A CYS 289.A SG PHE 659.A O no hydrogen 3.343 N/A LEU 290.A N ALA 286.A O no hydrogen 2.902 N/A ILE 291.A N SER 287.A O no hydrogen 2.851 N/A GLY 292.A N CYS 289.A O no hydrogen 2.977 N/A LEU 293.A N CYS 289.A O no hydrogen 3.199 N/A PHE 294.A N LEU 290.A O no hydrogen 3.077 N/A LEU 295.A N ILE 291.A O no hydrogen 3.041 N/A ASN 296.A N GLY 292.A O no hydrogen 2.959 N/A ASP 297.A N LEU 293.A O no hydrogen 2.856 N/A GLN 298.A N PHE 294.A O no hydrogen 2.963 N/A LEU 300.A N ASN 296.A O no hydrogen 2.994 N/A LYS 301.A N ASP 297.A O no hydrogen 2.927 N/A LYS 302.A N GLN 298.A O no hydrogen 2.962 N/A LYS 303.A N GLU 299.A O no hydrogen 2.849 N/A ALA 304.A N LYS 301.A O no hydrogen 3.084 N/A LYS 305.A N LYS 301.A O no hydrogen 3.154 N/A TYR 307.A N ALA 304.A O no hydrogen 2.797 N/A ASP 308.A N ALA 304.A O no hydrogen 3.046 N/A ILE 310.A N TYR 307.A O no hydrogen 3.173 N/A ALA 311.A N TYR 307.A O no hydrogen 3.073 N/A LYS 312.A N THR 477.A OG1 no hydrogen 3.256 N/A LYS 312.A NZ ASP 422.A OD2 no hydrogen 2.966 N/A LYS 315.A N ASP 395.A OD2 no hydrogen 2.959 N/A GLN 316.A N ASP 395.A OD2 no hydrogen 3.108 N/A GLN 316.A NE2 ALA 317.A O no hydrogen 3.105 N/A ALA 317.A N PRO 339.A O no hydrogen 3.015 N/A ALA 318.A N LEU 396.A O no hydrogen 3.006 N/A VAL 319.A N LEU 341.A O no hydrogen 2.820 N/A LEU 320.A N VAL 398.A O no hydrogen 3.016 N/A GLY 321.A N LYS 343.A O no hydrogen 2.589 N/A ALA 322.A N ASP 344.A OD2 no hydrogen 2.968 N/A GLY 327.A N GLY 323.A O no hydrogen 2.727 N/A ILE 329.A N MET 325.A O no hydrogen 2.887 N/A ALA 330.A N GLY 326.A O no hydrogen 2.863 N/A TYR 331.A N GLY 327.A O no hydrogen 2.820 N/A GLN 332.A N GLY 328.A O no hydrogen 2.767 N/A SER 333.A N ILE 329.A O no hydrogen 2.874 N/A SER 333.A OG THR 338.A O no hydrogen 2.713 N/A SER 333.A OG TYR 481.A OH no hydrogen 2.579 N/A ALA 334.A N ALA 330.A O no hydrogen 3.138 N/A SER 335.A N TYR 331.A O no hydrogen 2.726 N/A SER 335.A OG TYR 331.A O no hydrogen 2.620 N/A LYS 336.A N GLN 332.A O no hydrogen 3.018 N/A LYS 336.A N SER 333.A O no hydrogen 3.229 N/A GLY 337.A N ALA 334.A O no hydrogen 2.964 N/A THR 338.A N SER 333.A O no hydrogen 3.036 N/A ILE 340.A N GLY 381.A O no hydrogen 3.495 N/A LEU 341.A N ALA 317.A O no hydrogen 3.010 N/A MET 342.A N ARG 383.A O no hydrogen 2.982 N/A LYS 343.A N VAL 319.A O no hydrogen 3.036 N/A LYS 343.A NZ ASP 344.A O no hydrogen 3.031 N/A ASP 344.A N THR 385.A O no hydrogen 3.219 N/A ILE 345.A N ASP 344.A OD1 no hydrogen 2.441 N/A ASN 346.A N ASP 344.A OD1 no hydrogen 3.319 N/A GLY 349.A N ASN 346.A O no hydrogen 2.853 N/A GLY 349.A N ASN 346.A OD1 no hydrogen 2.637 N/A GLU 351.A N GLU 347.A O no hydrogen 2.946 N/A GLN 352.A N HIS 348.A O no hydrogen 3.076 N/A GLN 352.A N GLY 349.A O no hydrogen 2.834 N/A GLY 353.A N GLY 349.A O no hydrogen 3.275 N/A LEU 354.A N ILE 350.A O no hydrogen 2.936 N/A ALA 355.A N GLU 351.A O no hydrogen 3.125 N/A ALA 355.A N GLN 352.A O no hydrogen 3.110 N/A GLU 356.A N GLN 352.A O no hydrogen 3.320 N/A ALA 357.A N GLY 353.A O no hydrogen 3.090 N/A ALA 358.A N LEU 354.A O no hydrogen 3.296 N/A ALA 358.A N ALA 355.A O no hydrogen 2.968 N/A LYS 359.A N ALA 355.A O no hydrogen 3.204 N/A LYS 359.A NZ GLU 356.A OE2 no hydrogen 3.413 N/A LEU 360.A N GLU 356.A O no hydrogen 3.180 N/A LEU 361.A N ALA 357.A O no hydrogen 3.362 N/A VAL 362.A N ALA 358.A O no hydrogen 2.627 N/A GLY 363.A N LYS 359.A O no hydrogen 2.767 N/A ARG 364.A N LEU 360.A O no hydrogen 2.890 N/A VAL 365.A N LEU 361.A O no hydrogen 3.153 N/A ASP 366.A N VAL 362.A O no hydrogen 2.612 N/A LYS 367.A N ARG 364.A O no hydrogen 2.967 N/A GLY 368.A N VAL 365.A O no hydrogen 2.735 N/A ARG 369.A N ARG 364.A O no hydrogen 3.082 N/A MET 375.A N THR 371.A O no hydrogen 2.841 N/A ALA 376.A N PRO 372.A O no hydrogen 3.007 N/A GLU 377.A N ALA 373.A O no hydrogen 3.089 N/A VAL 378.A N LYS 374.A O no hydrogen 3.129 N/A LEU 379.A N MET 375.A O no hydrogen 3.018 N/A ASN 380.A N ALA 376.A O no hydrogen 2.917 N/A GLY 381.A N VAL 378.A O no hydrogen 2.782 N/A ILE 382.A N VAL 378.A O no hydrogen 3.248 N/A ARG 383.A N ILE 340.A O no hydrogen 3.152 N/A ARG 383.A NE ASN 380.A O no hydrogen 3.579 N/A THR 385.A OG1 SER 387.A O no hydrogen 3.291 N/A SER 387.A N THR 385.A OG1 no hydrogen 3.216 N/A VAL 394.A N PHE 391.A O no hydrogen 3.351 N/A ASP 395.A N GLN 316.A O no hydrogen 2.761 N/A VAL 397.A N ILE 424.A O no hydrogen 2.789 N/A VAL 398.A N ALA 318.A O no hydrogen 2.675 N/A GLU 399.A N ALA 426.A O no hydrogen 2.908 N/A ALA 400.A N LEU 320.A O no hydrogen 2.967 N/A VAL 401.A N GLU 399.A OE2 no hydrogen 2.919 N/A VAL 407.A N ASN 404.A OD1 no hydrogen 2.852 N/A LYS 408.A N ASN 404.A O no hydrogen 2.866 N/A LYS 408.A NZ GLU 399.A OE2 no hydrogen 2.800 N/A LYS 408.A NZ VAL 401.A O no hydrogen 2.872 N/A LYS 408.A NZ VAL 402.A O no hydrogen 3.095 N/A GLN 409.A N PRO 405.A O no hydrogen 3.053 N/A ALA 410.A N LYS 406.A O no hydrogen 3.249 N/A ALA 410.A N VAL 407.A O no hydrogen 2.846 N/A VAL 411.A N VAL 407.A O no hydrogen 2.913 N/A LEU 412.A N LYS 408.A O no hydrogen 2.858 N/A GLU 414.A N ALA 410.A O no hydrogen 2.826 N/A VAL 415.A N VAL 411.A O no hydrogen 2.852 N/A GLU 416.A N LEU 412.A O no hydrogen 3.188 N/A ASN 417.A N GLU 414.A O no hydrogen 2.853 N/A HIS 418.A N VAL 415.A O no hydrogen 2.789 N/A ARG 420.A NE ASP 422.A OD1 no hydrogen 3.044 N/A ARG 420.A NH1 ASP 395.A OD1 no hydrogen 3.311 N/A ARG 420.A NH2 ASP 395.A OD1 no hydrogen 2.892 N/A ALA 423.A N ARG 420.A O no hydrogen 3.111 N/A ILE 424.A N ASP 395.A O no hydrogen 3.004 N/A LEU 425.A N ASN 446.A O no hydrogen 3.242 N/A ALA 426.A N VAL 397.A O no hydrogen 2.617 N/A SER 427.A OG GLU 399.A OE1 no hydrogen 2.682 N/A ASN 428.A N GLU 399.A O no hydrogen 3.079 N/A THR 429.A OG1 GLU 403.A OE2 no hydrogen 3.026 N/A THR 429.A OG1 ILE 432.A O no hydrogen 3.378 N/A SER 430.A N GLU 403.A OE2 no hydrogen 3.086 N/A SER 430.A OG HIS 451.A NE2 no hydrogen 2.959 N/A THR 431.A OG1 GLU 403.A OE1 no hydrogen 2.487 N/A ILE 432.A N THR 429.A OG1 no hydrogen 3.027 N/A SER 433.A OG ASP 494.A OD2 no hydrogen 2.660 N/A ILE 434.A N ASP 494.A OD1 no hydrogen 3.011 N/A SER 435.A OG ASP 494.A OD2 no hydrogen 3.280 N/A LEU 436.A N SER 433.A O no hydrogen 3.078 N/A LEU 437.A N SER 433.A O no hydrogen 2.992 N/A ALA 438.A N ILE 434.A O no hydrogen 2.798 N/A LYS 439.A N LEU 436.A O no hydrogen 3.265 N/A ALA 440.A N LEU 437.A O no hydrogen 3.260 N/A LEU 441.A N ALA 438.A O no hydrogen 3.350 N/A LYS 442.A N GLU 416.A OE1 no hydrogen 2.670 N/A LYS 442.A NZ ASN 417.A OD1 no hydrogen 3.140 N/A ARG 443.A N GLU 416.A OE2 no hydrogen 3.356 N/A ARG 443.A NE GLU 421.A O no hydrogen 3.004 N/A ASN 446.A N ARG 443.A O no hydrogen 3.093 N/A PHE 447.A N PRO 444.A O no hydrogen 2.917 N/A VAL 448.A N LEU 425.A O no hydrogen 3.065 N/A GLY 449.A N ILE 465.A O no hydrogen 2.709 N/A MET 450.A N SER 427.A O no hydrogen 3.219 N/A HIS 451.A N GLU 463.A O no hydrogen 2.834 N/A PHE 452.A N ASN 428.A OD1 no hydrogen 2.752 N/A MET 458.A N PRO 455.A O no hydrogen 3.010 N/A MET 459.A N PRO 455.A O no hydrogen 3.290 N/A GLU 463.A N HIS 451.A O no hydrogen 3.009 N/A VAL 464.A N ILE 490.A O no hydrogen 3.192 N/A ARG 466.A N VAL 492.A O no hydrogen 3.192 N/A ARG 466.A NE ASN 493.A OD1 no hydrogen 3.276 N/A GLU 468.A N SER 435.A OG no hydrogen 2.946 N/A SER 470.A N GLY 467.A O no hydrogen 3.078 N/A SER 470.A OG PHE 447.A O no hydrogen 2.561 N/A SER 471.A N GLU 445.A O no hydrogen 3.107 N/A SER 471.A OG GLU 445.A O no hydrogen 3.081 N/A ALA 474.A N SER 471.A OG no hydrogen 2.970 N/A VAL 475.A N SER 471.A O no hydrogen 3.069 N/A ALA 476.A N ASP 472.A O no hydrogen 2.872 N/A THR 477.A N LEU 473.A O no hydrogen 2.987 N/A THR 477.A OG1 LEU 473.A O no hydrogen 3.218 N/A THR 478.A OG1 ALA 474.A O no hydrogen 2.676 N/A VAL 479.A N VAL 475.A O no hydrogen 2.938 N/A ALA 480.A N ALA 476.A O no hydrogen 3.066 N/A TYR 481.A N THR 477.A O no hydrogen 2.982 N/A TYR 481.A OH SER 333.A OG no hydrogen 2.579 N/A ALA 482.A N THR 478.A O no hydrogen 2.846 N/A LYS 483.A N VAL 479.A O no hydrogen 2.734 N/A LYS 484.A N ALA 480.A O no hydrogen 2.868 N/A LYS 484.A NZ ASP 313.A OD1 no hydrogen 3.569 N/A LYS 484.A NZ VAL 314.A O no hydrogen 2.833 N/A LYS 484.A NZ THR 338.A OG1 no hydrogen 2.905 N/A MET 485.A N ALA 482.A O no hydrogen 3.166 N/A LYS 487.A N ALA 482.A O no hydrogen 3.211 N/A LYS 487.A NZ VAL 456.A O no hydrogen 3.100 N/A LYS 487.A NZ MET 459.A O no hydrogen 2.712 N/A ASN 488.A N PRO 460.A O no hydrogen 2.575 N/A ASN 488.A ND2 PRO 460.A O no hydrogen 3.602 N/A ILE 490.A N VAL 462.A O no hydrogen 3.357 N/A VAL 492.A N VAL 464.A O no hydrogen 2.970 N/A ASN 493.A N ILE 639.A O no hydrogen 2.991 N/A ASN 493.A ND2 GLY 638.A O no hydrogen 3.188 N/A ASP 494.A N ARG 466.A O no hydrogen 3.341 N/A CYS 495.A SG ASN 493.A O no hydrogen 3.812 N/A CYS 495.A SG PHE 498.A O no hydrogen 3.139 N/A PHE 498.A N CYS 495.A O no hydrogen 2.621 N/A LEU 499.A N GLU 463.A OE1 no hydrogen 3.050 N/A ARG 502.A N GLY 497.A O no hydrogen 2.888 N/A ARG 502.A NE GLU 630.A OE2 no hydrogen 2.875 N/A ARG 502.A NH2 GLU 630.A OE2 no hydrogen 3.288 N/A ARG 502.A NH2 ASP 637.A OD2 no hydrogen 3.170 N/A VAL 503.A N LEU 499.A O no hydrogen 2.985 N/A VAL 503.A N VAL 500.A O no hydrogen 3.055 N/A LEU 504.A N VAL 500.A O no hydrogen 2.926 N/A LEU 504.A N ASN 501.A O no hydrogen 2.981 N/A PHE 505.A N ASN 501.A O no hydrogen 3.158 N/A PHE 508.A N LEU 504.A O no hydrogen 2.984 N/A GLY 509.A N PHE 505.A O no hydrogen 2.629 N/A GLY 510.A N PRO 506.A O no hydrogen 2.852 N/A ALA 512.A N PHE 508.A O no hydrogen 2.763 N/A LYS 513.A N GLY 509.A O no hydrogen 2.894 N/A LEU 514.A N GLY 510.A O no hydrogen 3.295 N/A VAL 515.A N PHE 511.A O no hydrogen 3.190 N/A SER 516.A N ALA 512.A O no hydrogen 2.826 N/A SER 516.A OG ALA 512.A O no hydrogen 2.734 N/A ALA 517.A N LEU 514.A O no hydrogen 2.906 N/A GLY 518.A N VAL 515.A O no hydrogen 3.289 N/A VAL 519.A N LEU 514.A O no hydrogen 3.233 N/A VAL 522.A N ASP 520.A OD2 no hydrogen 3.249 N/A ARG 523.A N ASP 520.A O no hydrogen 3.060 N/A ILE 524.A N ASP 520.A O no hydrogen 3.027 N/A ASP 525.A N PHE 521.A O no hydrogen 3.158 N/A VAL 527.A N ILE 524.A O no hydrogen 2.814 N/A MET 528.A N ILE 524.A O no hydrogen 3.182 N/A GLU 529.A N ASP 525.A O no hydrogen 2.736 N/A PHE 531.A N VAL 527.A O no hydrogen 2.734 N/A GLY 532.A N MET 528.A O no hydrogen 3.081 N/A TRP 533.A N MET 528.A O no hydrogen 3.181 N/A LEU 540.A N GLY 536.A O no hydrogen 2.887 N/A MET 541.A N PRO 537.A O no hydrogen 3.092 N/A ASP 542.A N ALA 538.A O no hydrogen 3.336 N/A ASP 542.A N TYR 539.A O no hydrogen 3.303 N/A VAL 543.A N TYR 539.A O no hydrogen 3.179 N/A VAL 544.A N LEU 540.A O no hydrogen 2.894 N/A GLY 545.A N MET 541.A O no hydrogen 3.016 N/A ILE 546.A N LEU 581.A O no hydrogen 2.718 N/A THR 548.A N GLY 545.A O no hydrogen 2.729 N/A THR 548.A OG1 VAL 544.A O no hydrogen 3.186 N/A THR 548.A OG1 ASP 547.A OD1 no hydrogen 2.794 N/A GLY 549.A N GLY 545.A O no hydrogen 2.954 N/A HIS 550.A N ILE 546.A O no hydrogen 2.749 N/A GLY 552.A N THR 548.A O no hydrogen 2.743 N/A ARG 553.A N GLY 549.A O no hydrogen 3.084 N/A ARG 553.A NH1 SER 570.A OG no hydrogen 3.247 N/A ARG 553.A NH1 ASP 573.A OD2 no hydrogen 2.640 N/A ARG 553.A NH2 ASP 573.A OD1 no hydrogen 2.874 N/A ARG 553.A NH2 ASP 573.A OD2 no hydrogen 3.500 N/A ASP 554.A N HIS 550.A O no hydrogen 3.340 N/A VAL 555.A N HIS 551.A O no hydrogen 3.183 N/A MET 556.A N GLY 552.A O no hydrogen 3.286 N/A ALA 557.A N ARG 553.A O no hydrogen 2.961 N/A GLU 558.A N ASP 554.A O no hydrogen 3.354 N/A GLY 559.A N VAL 555.A O no hydrogen 3.128 N/A PHE 560.A N MET 556.A O no hydrogen 2.778 N/A ARG 563.A N PHE 560.A O no hydrogen 3.217 N/A MET 564.A N PHE 560.A O no hydrogen 2.760 N/A ARG 568.A N ASP 566.A OD1 no hydrogen 2.593 N/A ARG 569.A NE GLU 577.A OE1 no hydrogen 3.352 N/A ARG 569.A NE GLU 577.A OE2 no hydrogen 3.331 N/A ARG 569.A NH2 GLU 577.A OE1 no hydrogen 3.229 N/A SER 570.A N ASP 573.A OD2 no hydrogen 3.244 N/A ILE 572.A N SER 570.A OG no hydrogen 3.341 N/A ALA 574.A N SER 570.A O no hydrogen 3.297 N/A LEU 575.A N ALA 571.A O no hydrogen 3.137 N/A TYR 576.A N ILE 572.A O no hydrogen 2.682 N/A GLU 577.A N ASP 573.A O no hydrogen 2.723 N/A ALA 578.A N ALA 574.A O no hydrogen 2.939 N/A LYS 579.A N TYR 576.A O no hydrogen 2.807 N/A ARG 580.A N LEU 575.A O no hydrogen 2.804 N/A ARG 580.A NH2 ASP 597.A OD2 no hydrogen 2.596 N/A GLY 582.A N LYS 587.A O no hydrogen 2.632 N/A GLN 583.A N ASP 542.A O no hydrogen 3.099 N/A ASN 585.A N GLY 582.A O no hydrogen 2.784 N/A GLY 586.A N GLN 583.A O no hydrogen 3.359 N/A GLY 588.A N TYR 590.A O no hydrogen 2.830 N/A PHE 589.A N ASP 542.A OD1 no hydrogen 2.739 N/A TYR 590.A OH ASP 525.A OD2 no hydrogen 2.741 N/A ALA 591.A N LEU 595.A O no hydrogen 2.827 N/A TYR 592.A N GLY 586.A O no hydrogen 2.579 N/A LEU 595.A N ALA 591.A O no hydrogen 2.944 N/A VAL 600.A N ASP 597.A O no hydrogen 2.991 N/A LEU 604.A N VAL 600.A O no hydrogen 3.082 N/A LYS 605.A N GLU 602.A O no hydrogen 3.035 N/A ILE 607.A N LEU 604.A O no hydrogen 2.872 N/A VAL 608.A N LEU 604.A O no hydrogen 3.313 N/A TYR 609.A N SER 516.A O no hydrogen 3.126 N/A ARG 612.A NH1 GLU 684.A OE1 no hydrogen 3.323 N/A ARG 612.A NH1 GLU 684.A OE2 no hydrogen 3.263 N/A ARG 612.A NH2 GLU 684.A OE2 no hydrogen 3.348 N/A THR 615.A N ASP 618.A OD2 no hydrogen 3.081 N/A THR 615.A OG1 ASP 618.A OD2 no hydrogen 2.440 N/A ASP 618.A N THR 615.A OG1 no hydrogen 3.081 N/A ILE 619.A N THR 615.A O no hydrogen 3.292 N/A ILE 620.A N ASP 616.A O no hydrogen 3.312 N/A ASN 621.A N GLU 617.A O no hydrogen 3.117 N/A TRP 622.A N ASP 618.A O no hydrogen 2.672 N/A MET 623.A N ILE 619.A O no hydrogen 3.219 N/A MET 624.A N ILE 620.A O no hydrogen 2.828 N/A ILE 625.A N ASN 621.A O no hydrogen 3.213 N/A LEU 627.A N MET 623.A O no hydrogen 3.505 N/A CYS 628.A N MET 624.A O no hydrogen 2.838 N/A CYS 628.A SG MET 624.A O no hydrogen 3.248 N/A CYS 628.A SG ALA 663.A O no hydrogen 3.452 N/A LEU 629.A N ILE 625.A O no hydrogen 2.957 N/A GLU 630.A N PRO 626.A O no hydrogen 2.885 N/A THR 631.A N LEU 627.A O no hydrogen 2.862 N/A THR 631.A OG1 LEU 627.A O no hydrogen 2.835 N/A VAL 632.A N CYS 628.A O no hydrogen 2.989 N/A ARG 633.A N LEU 629.A O no hydrogen 2.996 N/A ARG 633.A NH2 LEU 688.A O no hydrogen 3.324 N/A CYS 634.A N GLU 630.A O no hydrogen 2.972 N/A CYS 634.A SG GLU 630.A O no hydrogen 3.560 N/A LEU 635.A N THR 631.A O no hydrogen 3.378 N/A GLU 636.A N VAL 632.A O no hydrogen 2.688 N/A ASP 637.A N ARG 633.A O no hydrogen 2.743 N/A GLY 638.A N LEU 635.A O no hydrogen 3.041 N/A ILE 639.A N CYS 634.A O no hydrogen 2.761 N/A VAL 640.A N CYS 634.A O no hydrogen 3.398 N/A THR 642.A N GLU 645.A OE1 no hydrogen 2.767 N/A THR 642.A OG1 GLU 645.A OE1 no hydrogen 2.836 N/A GLU 645.A N THR 642.A OG1 no hydrogen 3.338 N/A ALA 646.A N THR 642.A O no hydrogen 3.393 N/A ASP 647.A N ALA 643.A O no hydrogen 2.862 N/A MET 648.A N ALA 644.A O no hydrogen 2.892 N/A GLY 649.A N GLU 645.A O no hydrogen 2.725 N/A LEU 650.A N ASP 647.A O no hydrogen 3.294 N/A VAL 651.A N ASP 647.A O no hydrogen 3.357 N/A TYR 652.A N MET 648.A O no hydrogen 3.063 N/A ILE 654.A N LEU 650.A O no hydrogen 2.767 N/A GLY 655.A N LEU 650.A O no hydrogen 2.896 N/A PHE 656.A N LEU 650.A O no hydrogen 3.513 N/A PHE 659.A N TYR 249.A OH no hydrogen 3.478 N/A ARG 660.A N PRO 657.A O no hydrogen 3.339 N/A ARG 660.A NE PHE 531.A O no hydrogen 3.267 N/A ARG 660.A NH2 PHE 531.A O no hydrogen 3.170 N/A GLY 661.A N LEU 658.A O no hydrogen 2.676 N/A GLY 662.A N ARG 660.A O no hydrogen 2.772 N/A LEU 664.A N ASP 647.A OD1 no hydrogen 2.905 N/A ILE 667.A N LEU 664.A O no hydrogen 2.901 N/A ASP 668.A N LEU 664.A O no hydrogen 3.141 N/A SER 669.A N ARG 665.A O no hydrogen 3.001 N/A SER 669.A OG ARG 665.A O no hydrogen 2.662 N/A ILE 670.A N TYR 666.A O no hydrogen 3.148 N/A GLY 671.A N ILE 667.A O no hydrogen 2.703 N/A GLU 674.A N GLU 674.A OE1 no hydrogen 2.605 N/A PHE 675.A N GLY 671.A O no hydrogen 2.560 N/A VAL 676.A N VAL 672.A O no hydrogen 3.202 N/A ALA 677.A N ALA 673.A O no hydrogen 3.106 N/A LEU 678.A N GLU 674.A O no hydrogen 3.054 N/A ALA 679.A N PHE 675.A O no hydrogen 2.821 N/A ASP 680.A N VAL 676.A O no hydrogen 2.887 N/A GLN 681.A N ALA 677.A O no hydrogen 3.192 N/A TYR 682.A N ALA 679.A O no hydrogen 3.218 N/A TYR 682.A OH ASP 618.A OD1 no hydrogen 2.817 N/A ALA 683.A N ASP 680.A O no hydrogen 2.863 N/A LEU 685.A N TYR 682.A O no hydrogen 2.651 N/A GLY 686.A N ALA 683.A O no hydrogen 3.288 N/A TYR 689.A N GLY 686.A O no hydrogen 2.757 N/A TYR 689.A OH TRP 622.A O no hydrogen 2.679 N/A HIS 690.A N ALA 687.A O no hydrogen 3.407 N/A HIS 690.A NE2 ALA 683.A O no hydrogen 3.143 N/A LEU 695.A N THR 692.A O no hydrogen 2.950 N/A LEU 695.A N THR 692.A OG1 no hydrogen 3.174 N/A ARG 696.A N THR 692.A O no hydrogen 3.076 N/A ARG 696.A NH1 ASP 680.A OD2 no hydrogen 3.496 N/A ARG 696.A NH2 ASP 680.A OD1 no hydrogen 2.627 N/A GLU 697.A N ALA 693.A O no hydrogen 3.251 N/A MET 698.A N LYS 694.A O no hydrogen 3.350 N/A ALA 699.A N LEU 695.A O no hydrogen 2.791 N/A LYS 700.A N GLU 697.A O no hydrogen 2.692 N/A ASN 701.A N GLU 697.A O no hydrogen 2.929 N/A ASN 701.A ND2 GLN 703.A OE1 no hydrogen 3.696 N/A GLN 703.A N MET 698.A O no hydrogen 2.842 N/A PHE 706.A N ASP 668.A OD2 no hydrogen 3.075 N/A