Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9bnd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG GLY 24.A O no hydrogen 2.849 N/A ARG 6.A N LEU 26.A O no hydrogen 2.466 N/A TRP 8.A N PHE 28.A O no hydrogen 2.884 N/A TRP 8.A NE1 GLN 17.A OE1 no hydrogen 2.311 N/A ARG 11.A NE TYR 36.A OH no hydrogen 3.467 N/A MET 14.A N THR 10.A O no hydrogen 3.263 N/A LEU 15.A N ARG 11.A O no hydrogen 2.807 N/A GLY 16.A N GLN 12.A O no hydrogen 3.136 N/A GLN 17.A N ALA 13.A O no hydrogen 2.951 N/A GLU 20.A N GLN 17.A O no hydrogen 3.167 N/A VAL 21.A N VAL 18.A O no hydrogen 3.327 N/A GLY 24.A N ARG 38.A O no hydrogen 3.182 N/A TRP 25.A N PRO 22.A O no hydrogen 3.149 N/A LEU 26.A N GLY 4.A O no hydrogen 2.897 N/A ILE 27.A N TYR 36.A O no hydrogen 2.684 N/A PHE 28.A N ARG 6.A O no hydrogen 2.741 N/A VAL 29.A N GLU 34.A O no hydrogen 3.201 N/A GLU 34.A N VAL 29.A O no hydrogen 3.320 N/A TYR 36.A N ILE 27.A O no hydrogen 2.709 N/A VAL 37.A N ARG 44.A O no hydrogen 2.910 N/A ARG 38.A N TRP 25.A O no hydrogen 3.370 N/A ARG 38.A NE VAL 18.A O no hydrogen 2.824 N/A ARG 38.A NH1 GLY 42.A O no hydrogen 2.844 N/A ARG 38.A NH2 VAL 18.A O no hydrogen 2.884 N/A VAL 39.A N GLY 42.A O no hydrogen 2.937 N/A ARG 44.A N VAL 37.A O no hydrogen 2.910 N/A LYS 45.A NZ GLU 34.A OE2 no hydrogen 2.677 N/A VAL 46.A N LEU 35.A O no hydrogen 2.594 N/A ARG 51.A NE.B ARG 51.A O no hydrogen 2.833 N/A ARG 51.A NH1.A GLU 33.A OE2 no hydrogen 2.751 N/A ARG 51.A NH2.B ARG 51.A O no hydrogen 3.330 N/A ARG 56.A N LEU 54.A O no hydrogen 2.688 N/A THR 58.A N GLU 61.A OE1 no hydrogen 3.286 N/A GLU 60.A N THR 58.A OG1 no hydrogen 3.316 N/A GLN 62.A N THR 58.A O no hydrogen 3.289 N/A GLN 62.A NE2 SER 57.A OG no hydrogen 2.424 N/A ALA 63.A N ILE 59.A O no hydrogen 2.673 N/A LYS 64.A N GLU 60.A O no hydrogen 2.903 N/A THR 65.A N GLU 61.A O no hydrogen 2.988 N/A THR 65.A OG1 GLU 61.A O no hydrogen 3.061 N/A THR 65.A OG1 GLN 62.A O no hydrogen 2.603 N/A PHE 66.A N GLN 62.A O no hydrogen 2.834 N/A LEU 67.A N ALA 63.A O no hydrogen 2.698 N/A ASP 68.A N LYS 64.A O no hydrogen 2.957 N/A LYS 69.A N THR 65.A O no hydrogen 2.934 N/A LYS 69.A NZ GLU 73.A OE1 no hydrogen 3.237 N/A PHE 70.A N PHE 66.A O no hydrogen 2.795 N/A ASN 71.A N LEU 67.A O no hydrogen 2.763 N/A ASN 71.A ND2 GLN 134.A OE1 no hydrogen 3.403 N/A HIS 72.A N ASP 68.A O no hydrogen 3.032 N/A GLU 73.A N LYS 69.A O no hydrogen 3.281 N/A ALA 74.A N PHE 70.A O no hydrogen 2.671 N/A GLU 75.A N ASN 71.A O no hydrogen 3.093 N/A LEU 77.A N GLU 73.A O no hydrogen 3.188 N/A PHE 78.A N ALA 74.A O no hydrogen 2.966 N/A TYR 79.A N GLU 75.A O no hydrogen 2.881 N/A TYR 79.A OH ASP 393.A OD2 no hydrogen 3.385 N/A GLN 80.A N ASP 76.A O no hydrogen 3.000 N/A SER 81.A N LEU 77.A O no hydrogen 3.101 N/A SER 82.A N PHE 78.A O no hydrogen 2.846 N/A SER 82.A OG PHE 78.A O no hydrogen 2.793 N/A SER 82.A OG TYR 79.A O no hydrogen 2.463 N/A SER 82.A OG LEU 389.A O no hydrogen 3.300 N/A LEU 83.A N TYR 79.A O no hydrogen 2.972 N/A ALA 84.A N GLN 80.A O no hydrogen 3.146 N/A SER 85.A N SER 81.A O no hydrogen 3.136 N/A TRP 86.A N SER 82.A O no hydrogen 2.932 N/A ASN 87.A N LEU 83.A O no hydrogen 2.809 N/A TYR 88.A N ALA 84.A O no hydrogen 2.939 N/A ASN 89.A N SER 85.A O no hydrogen 2.709 N/A ASN 89.A ND2 SER 85.A O no hydrogen 2.331 N/A THR 90.A N TRP 86.A O no hydrogen 2.761 N/A THR 90.A OG1 TRP 86.A O no hydrogen 2.612 N/A THR 90.A OG1 ASN 87.A O no hydrogen 3.019 N/A ASN 91.A N ASN 87.A O no hydrogen 2.615 N/A ILE 92.A N LYS 379.A O no hydrogen 2.587 N/A THR 93.A OG1 ASN 96.A OD1 no hydrogen 3.523 N/A VAL 97.A N THR 93.A O no hydrogen 2.907 N/A GLN 98.A N GLU 94.A O no hydrogen 3.412 N/A ASN 99.A N ASN 96.A O no hydrogen 2.849 N/A ASN 99.A ND2 GLU 95.A O no hydrogen 2.292 N/A ASN 102.A N GLN 98.A O no hydrogen 2.979 N/A ALA 103.A N ASN 99.A O no hydrogen 2.770 N/A GLY 104.A N MET 100.A O no hydrogen 2.531 N/A ASP 105.A N ASN 101.A O no hydrogen 3.216 N/A LYS 106.A N ASN 102.A O no hydrogen 2.974 N/A TRP 107.A N ALA 103.A O no hydrogen 2.924 N/A SER 108.A N GLY 104.A O no hydrogen 2.797 N/A SER 108.A OG GLY 104.A O no hydrogen 2.867 N/A ALA 109.A N ASP 105.A O no hydrogen 2.917 N/A PHE 110.A N LYS 106.A O no hydrogen 2.796 N/A LEU 111.A N TRP 107.A O no hydrogen 2.822 N/A LYS 112.A N SER 108.A O no hydrogen 2.945 N/A LYS 112.A NZ ALA 109.A O no hydrogen 3.388 N/A GLU 113.A N ALA 109.A O no hydrogen 3.055 N/A GLN 114.A N PHE 110.A O no hydrogen 3.035 N/A SER 115.A N LEU 111.A O no hydrogen 2.866 N/A SER 115.A OG LEU 138.A O no hydrogen 2.591 N/A SER 115.A OG ASN 141.A OD1 no hydrogen 3.304 N/A THR 116.A N LYS 112.A O no hydrogen 2.752 N/A THR 116.A OG1 LYS 112.A O no hydrogen 2.668 N/A LEU 117.A N GLU 113.A O no hydrogen 2.710 N/A ALA 118.A N GLN 114.A O no hydrogen 2.797 N/A GLN 119.A N THR 116.A O no hydrogen 3.113 N/A TYR 121.A N ALA 118.A O no hydrogen 3.087 N/A GLU 125.A N GLU 125.A OE1 no hydrogen 2.720 N/A ILE 126.A N LEU 123.A O no hydrogen 3.301 N/A GLN 127.A NE2 GLU 60.A OE1 no hydrogen 3.530 N/A GLN 127.A NE2 GLU 125.A O no hydrogen 3.229 N/A THR 130.A N ASN 128.A OD1 no hydrogen 3.135 N/A LYS 132.A N ASN 128.A O no hydrogen 2.730 N/A LEU 133.A N LEU 129.A O no hydrogen 2.733 N/A GLN 134.A N THR 130.A O no hydrogen 2.930 N/A LEU 135.A N VAL 131.A O no hydrogen 3.010 N/A GLN 136.A N LYS 132.A O no hydrogen 2.949 N/A ALA 137.A N LEU 133.A O no hydrogen 3.088 N/A LEU 138.A N GLN 134.A O no hydrogen 2.907 N/A GLN 139.A N LEU 135.A O no hydrogen 2.581 N/A GLN 139.A NE2 ALA 118.A O no hydrogen 2.477 N/A GLN 139.A NE2 TYR 121.A O no hydrogen 2.661 N/A GLN 140.A N ALA 137.A O no hydrogen 3.332 N/A ASN 141.A ND2 GLN 119.A OE1 no hydrogen 3.187 N/A SER 144.A N ASN 141.A O no hydrogen 3.359 N/A SER 144.A OG ASN 141.A O no hydrogen 2.954 N/A SER 147.A OG ASP 149.A OD1 no hydrogen 2.195 N/A GLU 148.A N GLU 148.A OE1 no hydrogen 2.638 N/A SER 151.A N SER 147.A O no hydrogen 3.094 N/A SER 151.A OG SER 143.A O no hydrogen 2.239 N/A SER 151.A OG SER 147.A O no hydrogen 3.035 N/A LYS 152.A N GLU 148.A O no hydrogen 2.771 N/A ARG 153.A N ASP 149.A O no hydrogen 2.906 N/A LEU 154.A N LYS 150.A O no hydrogen 2.978 N/A ASN 155.A N SER 151.A O no hydrogen 2.937 N/A THR 156.A N LYS 152.A O no hydrogen 2.963 N/A THR 156.A OG1 LYS 152.A O no hydrogen 2.630 N/A ILE 157.A N ARG 153.A O no hydrogen 2.848 N/A LEU 158.A N LEU 154.A O no hydrogen 2.860 N/A ASN 159.A N ASN 155.A O no hydrogen 2.777 N/A THR 160.A N THR 156.A O no hydrogen 2.945 N/A THR 160.A OG1 THR 156.A O no hydrogen 2.577 N/A MET 161.A N ILE 157.A O no hydrogen 3.150 N/A SER 162.A N LEU 158.A O no hydrogen 3.109 N/A SER 162.A OG ASN 546.A OD1 no hydrogen 3.342 N/A THR 163.A N ASN 159.A O no hydrogen 2.941 N/A THR 163.A OG1 ASN 159.A O no hydrogen 2.734 N/A THR 163.A OG1 THR 160.A O no hydrogen 2.618 N/A ILE 164.A N THR 160.A O no hydrogen 2.877 N/A TYR 165.A N MET 161.A O no hydrogen 2.810 N/A SER 166.A N SER 162.A O no hydrogen 3.029 N/A SER 166.A OG SER 162.A O no hydrogen 3.344 N/A SER 166.A OG THR 163.A O no hydrogen 2.551 N/A THR 167.A N THR 163.A O no hydrogen 2.851 N/A GLY 168.A N TYR 165.A O no hydrogen 3.409 N/A LYS 169.A NZ CYS 179.A O no hydrogen 3.325 N/A VAL 170.A N LEU 180.A O no hydrogen 3.430 N/A ASN 172.A N GLU 178.A O no hydrogen 3.225 N/A ASN 172.A ND2 ASP 174.A OD2 no hydrogen 3.445 N/A GLN 177.A NE2 ASN 175.A OD1 no hydrogen 2.816 N/A GLU 178.A N ASN 175.A O no hydrogen 3.197 N/A CYS 179.A SG PRO 176.A O no hydrogen 3.382 N/A LEU 180.A N VAL 170.A O no hydrogen 3.104 N/A LEU 186.A N LEU 181.A O no hydrogen 2.513 N/A ASN 187.A N LEU 182.A O no hydrogen 3.057 N/A GLU 188.A N PRO 184.A O no hydrogen 2.996 N/A MET 190.A N LEU 186.A O no hydrogen 3.341 N/A ALA 191.A N ASN 187.A O no hydrogen 3.032 N/A ASN 192.A N GLU 188.A O no hydrogen 2.984 N/A ASN 192.A ND2 GLU 188.A O no hydrogen 2.346 N/A SER 193.A N ILE 189.A O no hydrogen 2.858 N/A SER 193.A OG GLU 198.A OE1 no hydrogen 2.953 N/A ASP 195.A N SER 193.A OG no hydrogen 3.348 N/A ARG 199.A N ASP 195.A O no hydrogen 3.239 N/A ARG 199.A NE HIS 303.A O no hydrogen 2.881 N/A ARG 199.A NH1 SER 193.A O no hydrogen 3.526 N/A ARG 199.A NH2 HIS 303.A O no hydrogen 2.806 N/A LEU 200.A N TYR 196.A O no hydrogen 2.870 N/A TRP 201.A N ASN 197.A O no hydrogen 2.850 N/A ALA 202.A N GLU 198.A O no hydrogen 2.993 N/A TRP 203.A N ARG 199.A O no hydrogen 2.835 N/A TRP 203.A NE1 MET 308.A O no hydrogen 3.072 N/A GLU 204.A N LEU 200.A O no hydrogen 2.795 N/A SER 205.A N TRP 201.A O no hydrogen 2.719 N/A SER 205.A OG TRP 201.A O no hydrogen 2.825 N/A SER 205.A OG ALA 202.A O no hydrogen 3.067 N/A TRP 206.A N ALA 202.A O no hydrogen 2.966 N/A ARG 207.A N TRP 203.A O no hydrogen 3.256 N/A SER 208.A N GLU 204.A O no hydrogen 2.962 N/A SER 208.A N SER 205.A O no hydrogen 3.186 N/A SER 208.A OG GLU 204.A O no hydrogen 3.525 N/A SER 208.A OG SER 205.A O no hydrogen 2.826 N/A GLU 209.A N SER 205.A O no hydrogen 3.038 N/A VAL 210.A N TRP 206.A O no hydrogen 3.137 N/A GLY 211.A N ARG 207.A O no hydrogen 3.080 N/A LYS 212.A NZ THR 534.A OG1 no hydrogen 3.377 N/A LEU 214.A N VAL 210.A O no hydrogen 2.941 N/A ARG 215.A NE GLU 219.A OE2 no hydrogen 2.642 N/A ARG 215.A NH1 GLU 533.A OE1 no hydrogen 2.795 N/A ARG 215.A NH1 TYR 535.A O no hydrogen 3.325 N/A ARG 215.A NH2 GLU 219.A OE2 no hydrogen 3.272 N/A ARG 215.A NH2 GLU 533.A OE1 no hydrogen 2.816 N/A TYR 218.A N LEU 214.A O no hydrogen 2.626 N/A GLU 219.A N ARG 215.A O no hydrogen 3.121 N/A GLU 220.A N PRO 216.A O no hydrogen 2.986 N/A TYR 221.A N LEU 217.A O no hydrogen 2.705 N/A TYR 221.A OH ASP 547.A OD1 no hydrogen 2.266 N/A VAL 222.A N TYR 218.A O no hydrogen 2.665 N/A VAL 223.A N GLU 219.A O no hydrogen 2.893 N/A LEU 224.A N GLU 220.A O no hydrogen 3.004 N/A LYS 225.A N TYR 221.A O no hydrogen 2.807 N/A LYS 225.A NZ TYR 237.A OH no hydrogen 3.339 N/A ASN 226.A N VAL 222.A O no hydrogen 2.815 N/A GLU 227.A N LEU 224.A O no hydrogen 2.927 N/A MET 228.A N LEU 224.A O no hydrogen 3.339 N/A ARG 230.A N ASN 226.A O no hydrogen 3.348 N/A ARG 230.A NH2 GLU 227.A OE1 no hydrogen 2.963 N/A ALA 231.A N GLU 227.A O no hydrogen 3.281 N/A HIS 233.A N ARG 230.A O no hydrogen 3.019 N/A TYR 234.A N ALA 229.A O no hydrogen 2.610 N/A GLU 235.A N GLU 235.A OE1 no hydrogen 3.046 N/A TYR 237.A OH ASP 547.A OD1 no hydrogen 3.006 N/A TYR 237.A OH ASP 547.A OD2 no hydrogen 2.974 N/A GLY 238.A N ASP 236.A OD2 no hydrogen 3.046 N/A ASP 239.A N ASP 236.A OD1 no hydrogen 2.702 N/A TYR 240.A N ASP 236.A O no hydrogen 3.114 N/A TRP 241.A N TYR 237.A O no hydrogen 3.052 N/A ARG 242.A N GLY 238.A O no hydrogen 2.911 N/A ARG 242.A NH2 ASP 236.A OD1 no hydrogen 3.536 N/A ARG 242.A NH2 ASP 239.A OD1 no hydrogen 2.737 N/A GLY 243.A N TYR 240.A O no hydrogen 3.336 N/A ASP 244.A N TRP 241.A O no hydrogen 3.424 N/A TYR 245.A OH THR 555.A OG1 no hydrogen 3.038 N/A GLU 246.A N GLY 243.A O no hydrogen 3.205 N/A VAL 247.A N TYR 255.A O no hydrogen 2.541 N/A ASN 248.A ND2 GLU 246.A OE2 no hydrogen 2.785 N/A VAL 250.A N ASP 254.A OD1 no hydrogen 2.556 N/A TYR 253.A N VAL 250.A O no hydrogen 3.110 N/A TYR 253.A OH GLU 609.A OE1 no hydrogen 2.717 N/A TYR 253.A OH GLU 609.A OE2 no hydrogen 2.802 N/A TYR 255.A N VAL 247.A O no hydrogen 2.847 N/A TYR 255.A OH ASP 263.A OD2 no hydrogen 2.480 N/A ARG 257.A NE ASP 239.A OD1 no hydrogen 3.200 N/A GLN 259.A N SER 256.A OG no hydrogen 3.076 N/A GLN 259.A NE2 ASP 263.A OD1 no hydrogen 3.191 N/A GLN 259.A NE2 ASP 263.A OD2 no hydrogen 2.720 N/A LEU 260.A N SER 256.A O no hydrogen 3.220 N/A ILE 261.A N ARG 257.A O no hydrogen 3.428 N/A GLU 262.A N GLY 258.A O no hydrogen 3.083 N/A ASP 263.A N GLN 259.A O no hydrogen 2.897 N/A VAL 264.A N LEU 260.A O no hydrogen 2.861 N/A GLU 265.A N ILE 261.A O no hydrogen 2.913 N/A HIS 266.A N GLU 262.A O no hydrogen 2.826 N/A THR 267.A N ASP 263.A O no hydrogen 2.812 N/A THR 267.A OG1 ASP 263.A O no hydrogen 2.958 N/A THR 267.A OG1 VAL 264.A O no hydrogen 2.597 N/A THR 267.A OG1 TYR 554.A OH no hydrogen 3.130 N/A PHE 268.A N VAL 264.A O no hydrogen 2.999 N/A GLU 269.A N GLU 265.A O no hydrogen 2.965 N/A GLU 270.A N HIS 266.A O no hydrogen 3.297 N/A ILE 271.A N THR 267.A O no hydrogen 3.000 N/A LYS 272.A N PHE 268.A O no hydrogen 2.925 N/A LYS 272.A NZ GLU 269.A OE1 no hydrogen 3.494 N/A TYR 275.A N ILE 271.A O no hydrogen 3.189 N/A TYR 275.A OH VAL 523.A O no hydrogen 2.257 N/A GLU 276.A N LYS 272.A O no hydrogen 2.744 N/A HIS 277.A N PRO 273.A O no hydrogen 3.178 N/A LEU 278.A N LEU 274.A O no hydrogen 3.098 N/A HIS 279.A N TYR 275.A O no hydrogen 2.716 N/A HIS 279.A NE2 GLY 524.A O no hydrogen 2.466 N/A ALA 280.A N GLU 276.A O no hydrogen 2.830 N/A TYR 281.A N HIS 277.A O no hydrogen 3.021 N/A VAL 282.A N LEU 278.A O no hydrogen 2.868 N/A ARG 283.A N HIS 279.A O no hydrogen 2.850 N/A ARG 283.A NH1 GLY 298.A O no hydrogen 3.531 N/A ARG 283.A NH1 GLY 643.A O no hydrogen 2.885 N/A ARG 283.A NH2 PHE 641.A O no hydrogen 2.294 N/A ALA 284.A N ALA 280.A O no hydrogen 2.755 N/A LYS 285.A N TYR 281.A O no hydrogen 2.821 N/A LYS 285.A NZ VAL 321.A O no hydrogen 3.542 N/A LEU 286.A N ARG 283.A O no hydrogen 2.781 N/A MET 287.A N ARG 283.A O no hydrogen 3.106 N/A ASN 288.A N ALA 284.A O no hydrogen 3.307 N/A ALA 289.A N LYS 285.A O no hydrogen 3.022 N/A TYR 290.A N LEU 286.A O no hydrogen 2.621 N/A ILE 297.A N SER 295.A OG no hydrogen 3.116 N/A GLY 298.A N SER 295.A OG no hydrogen 3.196 N/A CYS 299.A SG ARG 520.A O no hydrogen 3.352 N/A CYS 299.A SG SER 645.A O no hydrogen 3.236 N/A LEU 300.A N GLY 524.A O no hydrogen 3.021 N/A HIS 303.A N HIS 303.A ND1 no hydrogen 2.955 N/A TRP 309.A N ASP 307.A OD1 no hydrogen 2.743 N/A TRP 309.A NE1 SER 540.A OG no hydrogen 2.937 N/A GLY 310.A N ASP 307.A O no hydrogen 2.746 N/A THR 314.A OG1 THR 483.A OG1 no hydrogen 2.573 N/A ASN 315.A ND2 GLY 306.A O no hydrogen 2.692 N/A LEU 316.A N TRP 313.A O no hydrogen 2.951 N/A TYR 317.A N THR 314.A O no hydrogen 2.957 N/A TYR 317.A OH ASN 328.A OD1 no hydrogen 2.398 N/A THR 320.A N LEU 316.A O no hydrogen 2.560 N/A THR 320.A OG1 LEU 316.A O no hydrogen 2.586 N/A LYS 326.A NZ ASP 469.A OD2 no hydrogen 2.461 N/A THR 332.A N ASP 330.A OD1 no hydrogen 3.247 N/A THR 332.A OG1 ASP 330.A OD1 no hydrogen 3.110 N/A ALA 334.A N VAL 331.A O no hydrogen 3.148 N/A MET 335.A N VAL 331.A O no hydrogen 3.221 N/A MET 335.A N THR 332.A O no hydrogen 2.979 N/A VAL 336.A N THR 332.A O no hydrogen 3.344 N/A ASP 337.A N ASP 333.A O no hydrogen 3.002 N/A GLN 338.A N ALA 334.A O no hydrogen 2.943 N/A GLN 338.A NE2 GLY 460.A O no hydrogen 3.085 N/A ALA 339.A N VAL 336.A O no hydrogen 3.219 N/A TRP 340.A N MET 335.A O no hydrogen 2.834 N/A ALA 342.A N ASP 341.A OD1 no hydrogen 2.537 N/A ILE 345.A N ASP 341.A O no hydrogen 2.977 N/A PHE 346.A N ALA 342.A O no hydrogen 3.070 N/A LYS 347.A N GLN 343.A O no hydrogen 2.936 N/A LYS 347.A NZ GLU 350.A OE1 no hydrogen 3.247 N/A GLU 348.A N ARG 344.A O no hydrogen 2.788 N/A ALA 349.A N ILE 345.A O no hydrogen 2.883 N/A GLU 350.A N PHE 346.A O no hydrogen 2.887 N/A LYS 351.A N LYS 347.A O no hydrogen 3.015 N/A LYS 351.A NZ GLU 348.A OE2 no hydrogen 2.428 N/A PHE 352.A N GLU 348.A O no hydrogen 2.835 N/A PHE 353.A N ALA 349.A O no hydrogen 2.813 N/A VAL 354.A N GLU 350.A O no hydrogen 2.773 N/A SER 355.A N LYS 351.A O no hydrogen 2.896 N/A SER 355.A OG PHE 352.A O no hydrogen 2.656 N/A VAL 356.A N PHE 352.A O no hydrogen 3.249 N/A GLY 357.A N VAL 354.A O no hydrogen 3.178 N/A MET 361.A N GLU 350.A OE2 no hydrogen 3.402 N/A GLN 363.A N GLN 363.A OE1 no hydrogen 2.628 N/A GLU 367.A N GLN 363.A O no hydrogen 3.418 N/A ASN 368.A N GLY 364.A O no hydrogen 2.977 N/A ASN 368.A N PHE 365.A O no hydrogen 3.282 N/A SER 369.A OG PHE 365.A O no hydrogen 3.105 N/A GLY 375.A N ASP 373.A O no hydrogen 2.639 N/A VAL 381.A N ASN 89.A O no hydrogen 2.940 N/A CYS 382.A SG ASP 373.A OD2 no hydrogen 3.232 N/A TRP 387.A N ARG 395.A O no hydrogen 2.796 N/A LYS 391.A NZ ASP 76.A OD1 no hydrogen 2.630 N/A ASP 393.A N GLY 390.A O no hydrogen 2.913 N/A ARG 395.A N TRP 387.A O no hydrogen 3.177 N/A ILE 396.A N SER 369.A OG no hydrogen 3.342 N/A LEU 397.A N THR 385.A O no hydrogen 3.376 N/A CYS 399.A SG ASP 373.A OD2 no hydrogen 3.229 N/A LYS 401.A N ASP 406.A OD2 no hydrogen 2.431 N/A THR 403.A N LYS 401.A O no hydrogen 2.981 N/A MET 404.A N THR 332.A OG1 no hydrogen 2.616 N/A ASP 406.A N THR 403.A OG1 no hydrogen 3.394 N/A PHE 407.A N THR 403.A O no hydrogen 2.735 N/A LEU 408.A N MET 404.A O no hydrogen 2.811 N/A THR 409.A N ASP 405.A O no hydrogen 3.039 N/A THR 409.A OG1 ASP 405.A O no hydrogen 3.090 N/A THR 409.A OG1 ASP 406.A O no hydrogen 2.947 N/A ALA 410.A N ASP 406.A O no hydrogen 2.769 N/A HIS 411.A N PHE 407.A O no hydrogen 3.015 N/A HIS 412.A N LEU 408.A O no hydrogen 2.712 N/A HIS 412.A NE2 GLU 440.A OE1 no hydrogen 2.734 N/A GLU 413.A N THR 409.A O no hydrogen 2.687 N/A MET 414.A N ALA 410.A O no hydrogen 2.998 N/A GLY 415.A N HIS 411.A O no hydrogen 3.048 N/A HIS 416.A N HIS 412.A O no hydrogen 3.099 N/A HIS 416.A NE2 HIS 412.A NE2 no hydrogen 2.929 N/A ILE 417.A N GLU 413.A O no hydrogen 3.170 N/A GLN 418.A N MET 414.A O no hydrogen 2.733 N/A TYR 419.A N GLY 415.A O no hydrogen 2.918 N/A ASP 420.A N HIS 416.A O no hydrogen 2.974 N/A MET 421.A N ILE 417.A O no hydrogen 3.043 N/A ALA 424.A N MET 421.A O no hydrogen 3.340 N/A GLN 426.A N TYR 423.A O no hydrogen 2.977 N/A GLN 426.A NE2 SER 601.A OG no hydrogen 2.887 N/A ARG 431.A N PHE 428.A O no hydrogen 3.445 N/A ARG 431.A NH1 ASP 388.A OD1 no hydrogen 2.642 N/A ARG 431.A NH1 ASP 388.A OD2 no hydrogen 2.841 N/A ARG 431.A NH2 ASP 388.A OD1 no hydrogen 3.196 N/A ASN 432.A N LEU 430.A O no hydrogen 2.880 N/A GLY 433.A N ASN 432.A OD1 no hydrogen 2.620 N/A ALA 434.A N TYR 419.A OH no hydrogen 3.414 N/A GLY 437.A N ASN 435.A OD1 no hydrogen 2.854 N/A PHE 438.A N ASN 435.A O no hydrogen 3.423 N/A VAL 442.A N PHE 438.A O no hydrogen 3.029 N/A GLY 443.A N HIS 439.A O no hydrogen 3.491 N/A GLU 444.A N GLU 440.A O no hydrogen 2.987 N/A GLU 444.A N ALA 441.A O no hydrogen 3.196 N/A ILE 445.A N ALA 441.A O no hydrogen 3.066 N/A SER 447.A OG GLY 443.A O no hydrogen 2.983 N/A SER 447.A OG GLU 444.A O no hydrogen 2.786 N/A LEU 448.A N GLU 444.A O no hydrogen 3.048 N/A SER 449.A N ILE 445.A O no hydrogen 3.141 N/A SER 449.A OG ILE 445.A O no hydrogen 3.343 N/A ALA 450.A N MET 446.A O no hydrogen 2.714 N/A ALA 451.A N SER 447.A O no hydrogen 2.851 N/A THR 452.A N SER 449.A O no hydrogen 3.196 N/A THR 452.A OG1 SER 449.A O no hydrogen 2.223 N/A LYS 454.A NZ ASP 581.A O no hydrogen 3.426 N/A HIS 455.A ND1 SER 583.A OG no hydrogen 2.545 N/A LEU 456.A N THR 452.A O no hydrogen 3.189 N/A LYS 457.A N PRO 453.A O no hydrogen 2.900 N/A LYS 457.A NZ PHE 466.A O no hydrogen 2.855 N/A LYS 457.A NZ GLU 468.A OE2 no hydrogen 3.246 N/A SER 458.A N LYS 454.A O no hydrogen 2.878 N/A ILE 459.A N HIS 455.A O no hydrogen 3.195 N/A GLY 460.A N LYS 457.A O no hydrogen 3.366 N/A LEU 462.A N LEU 456.A O no hydrogen 3.023 N/A PHE 466.A N SER 463.A O no hydrogen 3.188 N/A ASP 469.A N ASP 469.A OD1 no hydrogen 2.511 N/A THR 472.A OG1 ASP 469.A O no hydrogen 2.851 N/A THR 472.A OG1 ASP 469.A OD1 no hydrogen 2.704 N/A GLU 473.A N ASP 469.A O no hydrogen 3.185 N/A ILE 474.A N ASN 470.A O no hydrogen 2.640 N/A ASN 475.A N GLU 471.A O no hydrogen 3.039 N/A ASN 475.A ND2 PHE 323.A O no hydrogen 3.199 N/A PHE 476.A N THR 472.A O no hydrogen 2.858 N/A LEU 477.A N GLU 473.A O no hydrogen 2.789 N/A LEU 478.A N ILE 474.A O no hydrogen 2.880 N/A LYS 479.A N ASN 475.A O no hydrogen 3.142 N/A GLN 480.A N PHE 476.A O no hydrogen 2.983 N/A ALA 481.A N LEU 477.A O no hydrogen 2.812 N/A LEU 482.A N LEU 478.A O no hydrogen 2.790 N/A THR 483.A N LYS 479.A O no hydrogen 2.962 N/A THR 483.A OG1 THR 314.A OG1 no hydrogen 2.573 N/A THR 483.A OG1 LYS 479.A O no hydrogen 2.993 N/A ILE 484.A N GLN 480.A O no hydrogen 2.738 N/A GLY 486.A N ALA 481.A O no hydrogen 2.371 N/A THR 487.A OG1 ARG 311.A O no hydrogen 3.332 N/A THR 487.A OG1 THR 491.A OG1 no hydrogen 3.242 N/A LEU 488.A N VAL 485.A O no hydrogen 3.233 N/A THR 491.A N THR 487.A O no hydrogen 2.804 N/A THR 491.A OG1 THR 487.A O no hydrogen 2.429 N/A TYR 492.A N LEU 488.A O no hydrogen 2.804 N/A MET 493.A N PRO 489.A O no hydrogen 2.970 N/A LEU 494.A N PHE 490.A O no hydrogen 3.028 N/A GLU 495.A N THR 491.A O no hydrogen 3.304 N/A LYS 496.A N TYR 492.A O no hydrogen 2.880 N/A LYS 496.A NZ TYR 492.A OH no hydrogen 3.160 N/A TRP 497.A N MET 493.A O no hydrogen 2.382 N/A TRP 497.A NE1 TRP 511.A O no hydrogen 2.635 N/A ARG 498.A N LEU 494.A O no hydrogen 2.711 N/A ARG 498.A NH1 GLU 495.A OE1 no hydrogen 2.654 N/A TRP 499.A N GLU 495.A O no hydrogen 2.887 N/A MET 500.A N LYS 496.A O no hydrogen 3.394 N/A VAL 501.A N TRP 497.A O no hydrogen 3.035 N/A PHE 502.A N ARG 498.A O no hydrogen 2.998 N/A LYS 503.A N TRP 499.A O no hydrogen 2.810 N/A GLY 504.A N MET 500.A O no hydrogen 2.584 N/A GLN 510.A N PRO 507.A O no hydrogen 3.012 N/A TRP 511.A N PRO 507.A O no hydrogen 3.136 N/A LYS 513.A N GLU 533.A OE2 no hydrogen 3.280 N/A LYS 513.A NZ GLU 533.A OE2 no hydrogen 3.390 N/A LYS 514.A N GLN 510.A O no hydrogen 2.444 N/A TRP 515.A N TRP 511.A O no hydrogen 2.664 N/A TRP 516.A N MET 512.A O no hydrogen 2.754 N/A TRP 516.A NE1 ASP 537.A OD2 no hydrogen 2.892 N/A GLU 517.A N LYS 513.A O no hydrogen 2.698 N/A MET 518.A N LYS 514.A O no hydrogen 2.615 N/A LYS 519.A N TRP 515.A O no hydrogen 2.476 N/A LYS 519.A NZ TRP 309.A O no hydrogen 3.508 N/A ARG 520.A N TRP 516.A O no hydrogen 2.921 N/A ARG 520.A N GLU 517.A O no hydrogen 3.231 N/A ARG 520.A NE GLU 527.A OE1 no hydrogen 3.351 N/A ARG 520.A NH1 THR 646.A O no hydrogen 3.004 N/A ARG 520.A NH2 GLU 527.A OE1 no hydrogen 3.305 N/A GLU 521.A N GLU 517.A O no hydrogen 2.954 N/A ILE 522.A N MET 518.A O no hydrogen 3.027 N/A VAL 523.A N MET 518.A O no hydrogen 2.964 N/A VAL 525.A N LYS 519.A O no hydrogen 2.466 N/A VAL 526.A N LEU 300.A O no hydrogen 2.534 N/A GLU 527.A N GLU 527.A OE1 no hydrogen 2.611 N/A HIS 531.A NE2 GLU 204.A OE1 no hydrogen 2.359 N/A THR 534.A OG1 ASP 532.A OD1 no hydrogen 2.594 N/A TYR 535.A N ASP 532.A O no hydrogen 3.067 N/A TYR 535.A OH GLU 204.A OE2 no hydrogen 2.331 N/A ALA 539.A N CYS 536.A O no hydrogen 2.780 N/A SER 540.A N CYS 536.A O no hydrogen 3.293 N/A SER 540.A N ASP 537.A O no hydrogen 2.985 N/A SER 540.A OG ASP 537.A O no hydrogen 2.456 N/A LEU 541.A N PRO 538.A O no hydrogen 3.239 N/A HIS 543.A NE2 TYR 553.A OH no hydrogen 2.273 N/A SER 545.A N LEU 541.A O no hydrogen 3.288 N/A SER 545.A OG LEU 541.A O no hydrogen 3.112 N/A SER 545.A OG PHE 542.A O no hydrogen 3.003 N/A ASN 546.A N PHE 542.A O no hydrogen 2.871 N/A ASN 546.A ND2 PHE 542.A O no hydrogen 2.688 N/A TYR 548.A N HIS 543.A O no hydrogen 2.738 N/A SER 549.A OG GLU 436.A OE2 no hydrogen 2.713 N/A PHE 550.A N GLU 495.A OE1 no hydrogen 2.765 N/A ARG 552.A NE SER 549.A O no hydrogen 2.703 N/A ARG 552.A NH2 SER 549.A OG no hydrogen 3.266 N/A TYR 553.A N PHE 550.A O no hydrogen 3.454 N/A TYR 553.A OH HIS 543.A NE2 no hydrogen 2.273 N/A TYR 554.A OH THR 267.A OG1 no hydrogen 3.130 N/A THR 555.A N ILE 551.A O no hydrogen 3.121 N/A THR 555.A OG1 TYR 245.A OH no hydrogen 3.038 N/A THR 555.A OG1 ILE 551.A O no hydrogen 2.644 N/A THR 555.A OG1 ARG 552.A O no hydrogen 2.876 N/A ARG 556.A N ARG 552.A O no hydrogen 2.903 N/A THR 557.A N TYR 553.A O no hydrogen 3.007 N/A THR 557.A OG1 TYR 553.A O no hydrogen 3.207 N/A LEU 558.A N TYR 554.A O no hydrogen 3.304 N/A TYR 559.A N THR 555.A O no hydrogen 2.758 N/A GLN 560.A N ARG 556.A O no hydrogen 2.695 N/A PHE 561.A N THR 557.A O no hydrogen 2.963 N/A GLN 562.A N LEU 558.A O no hydrogen 2.999 N/A GLN 562.A NE2 LEU 558.A O no hydrogen 2.984 N/A PHE 563.A N TYR 559.A O no hydrogen 2.855 N/A GLN 564.A N GLN 560.A O no hydrogen 2.801 N/A GLN 564.A NE2 SER 449.A OG no hydrogen 3.095 N/A GLN 564.A NE2 CYS 580.A O no hydrogen 3.640 N/A GLU 565.A N PHE 561.A O no hydrogen 2.940 N/A ALA 566.A N GLN 562.A O no hydrogen 2.993 N/A LEU 567.A N PHE 563.A O no hydrogen 2.862 N/A CYS 568.A N GLN 564.A O no hydrogen 2.865 N/A CYS 568.A SG GLN 564.A O no hydrogen 3.113 N/A GLN 569.A N GLU 565.A O no hydrogen 2.821 N/A ALA 570.A N ALA 566.A O no hydrogen 2.811 N/A ALA 571.A N LEU 567.A O no hydrogen 2.858 N/A LYS 572.A N GLN 569.A O no hydrogen 3.171 N/A HIS 573.A N CYS 568.A O no hydrogen 2.836 N/A HIS 573.A NE2 PRO 576.A O no hydrogen 2.394 N/A LYS 579.A NZ GLU 468.A OE1 no hydrogen 2.667 N/A CYS 580.A N LEU 577.A O no hydrogen 3.097 N/A SER 583.A N ASP 581.A OD1 no hydrogen 3.123 N/A SER 583.A OG HIS 455.A ND1 no hydrogen 2.545 N/A SER 583.A OG ASP 581.A OD1 no hydrogen 3.047 N/A SER 583.A OG ASP 581.A OD2 no hydrogen 3.070 N/A ASN 584.A N SER 355.A OG no hydrogen 3.426 N/A THR 586.A OG1 GLU 587.A OE1 no hydrogen 3.288 N/A GLY 589.A N SER 585.A O no hydrogen 3.490 N/A GLN 590.A N THR 586.A O no hydrogen 3.068 N/A LYS 591.A N GLU 587.A O no hydrogen 2.926 N/A LEU 592.A N ALA 588.A O no hydrogen 3.006 N/A PHE 593.A N GLY 589.A O no hydrogen 2.798 N/A ASN 594.A N GLN 590.A O no hydrogen 3.031 N/A ASN 594.A N LYS 591.A O no hydrogen 3.195 N/A MET 595.A N LEU 592.A O no hydrogen 3.163 N/A LEU 596.A N LEU 592.A O no hydrogen 2.922 N/A ARG 597.A N PHE 593.A O no hydrogen 3.075 N/A GLY 599.A N MET 595.A O no hydrogen 3.404 N/A SER 601.A OG LEU 598.A O no hydrogen 2.998 N/A SER 601.A OG GLU 602.A OE1 no hydrogen 3.447 N/A GLU 602.A N GLU 602.A OE1 no hydrogen 2.720 N/A TRP 604.A NE1 TYR 245.A O no hydrogen 2.661 N/A THR 605.A OG1 TYR 253.A O no hydrogen 3.132 N/A ALA 607.A N PRO 603.A O no hydrogen 3.096 N/A LEU 608.A N TRP 604.A O no hydrogen 2.837 N/A GLU 609.A N THR 605.A O no hydrogen 2.939 N/A ASN 610.A N LEU 606.A O no hydrogen 2.821 N/A VAL 611.A N ALA 607.A O no hydrogen 3.076 N/A VAL 612.A N LEU 608.A O no hydrogen 3.153 N/A LYS 615.A NZ ASP 254.A O no hydrogen 2.929 N/A ASN 616.A ND2 ASP 263.A OD1 no hydrogen 2.792 N/A MET 617.A N ASN 616.A OD1 no hydrogen 2.641 N/A ARG 620.A N ASN 618.A OD1 no hydrogen 2.982 N/A ARG 620.A NH1 ARG 620.A O no hydrogen 3.091 N/A LEU 622.A N VAL 619.A O no hydrogen 3.084 N/A ASN 624.A N ARG 620.A O no hydrogen 3.345 N/A TYR 625.A N PRO 621.A O no hydrogen 2.805 N/A PHE 626.A N LEU 622.A O no hydrogen 3.019 N/A PHE 630.A N PHE 626.A O no hydrogen 2.654 N/A THR 631.A N GLU 627.A O no hydrogen 3.046 N/A THR 631.A OG1 GLU 627.A O no hydrogen 3.174 N/A THR 631.A OG1 PRO 628.A O no hydrogen 2.743 N/A TRP 632.A N PRO 628.A O no hydrogen 3.046 N/A LEU 633.A N LEU 629.A O no hydrogen 2.750 N/A LYS 634.A N PHE 630.A O no hydrogen 2.961 N/A ASP 635.A N THR 631.A O no hydrogen 2.882 N/A GLN 636.A N TRP 632.A O no hydrogen 2.852 N/A ASN 637.A N LYS 634.A O no hydrogen 3.418 N/A LYS 638.A NZ GLN 636.A O no hydrogen 3.148 N/A LYS 638.A NZ GLN 636.A OE1 no hydrogen 3.497 N/A SER 640.A OG GLN 636.A O no hydrogen 3.397 N/A TRP 644.A NE1 GLU 521.A O no hydrogen 2.568 N/A SER 645.A OG ASP 647.A OD2 no hydrogen 3.450 N/A TRP 648.A N SER 645.A OG no hydrogen 3.375 N/A SER 649.A N ALA 652.A O no hydrogen 2.640 N/A SER 649.A OG GLU 527.A O no hydrogen 3.454 N/A ALA 652.A N SER 649.A O no hydrogen 3.075 N/A