Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i6s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N LEU 397.A O no hydrogen 2.691 N/A THR 1.A OG1 LEU 397.A O no hydrogen 2.877 N/A THR 2.A OG1 ALA 125.A O no hydrogen 2.727 N/A HIS 3.A NE2 ASP 229.A OD2 no hydrogen 2.727 N/A PHE 7.A N HIS 3.A O no hydrogen 2.936 N/A LEU 8.A N THR 4.A O no hydrogen 3.118 N/A LEU 8.A N SER 5.A O no hydrogen 3.267 N/A LYS 9.A N ASP 6.A O no hydrogen 2.886 N/A LEU 10.A N SER 5.A O no hydrogen 2.932 N/A LEU 16.A N ASN 491.A OD1 no hydrogen 2.832 N/A TRP 17.A NE1 VAL 132.A O no hydrogen 3.040 N/A ALA 19.A N GLY 15.A O no hydrogen 3.338 N/A SER 20.A N TRP 17.A O no hydrogen 2.976 N/A SER 20.A OG LEU 16.A O no hydrogen 2.619 N/A SER 20.A OG TRP 17.A O no hydrogen 3.102 N/A GLY 21.A N PRO 18.A O no hydrogen 3.114 N/A LEU 22.A N TRP 17.A O no hydrogen 2.882 N/A GLY 23.A N SER 20.A O no hydrogen 2.992 N/A GLN 24.A N GLY 21.A O no hydrogen 3.165 N/A VAL 26.A N GLY 23.A O no hydrogen 2.896 N/A ILE 27.A N ASP 167.A OD1 no hydrogen 2.598 N/A VAL 28.A N ARG 137.A O no hydrogen 3.056 N/A ALA 29.A N MET 168.A O no hydrogen 2.850 N/A VAL 30.A N ALA 139.A O no hydrogen 2.967 N/A LEU 31.A N SER 170.A O no hydrogen 3.092 N/A ASP 32.A N TYR 141.A O no hydrogen 2.670 N/A SER 33.A OG ASP 99.A OD1 no hydrogen 3.112 N/A ILE 35.A N ALA 97.A O no hydrogen 2.701 N/A TRP 36.A N THR 105.A OG1 no hydrogen 3.144 N/A SER 39.A N TRP 36.A O no hydrogen 3.338 N/A SER 41.A N SER 39.A OG no hydrogen 3.221 N/A SER 41.A OG TYR 419.A OH no hydrogen 2.565 N/A PHE 42.A N SER 39.A O no hydrogen 2.923 N/A GLN 43.A N ALA 40.A O no hydrogen 3.281 N/A GLN 43.A NE2 PRO 37.A O no hydrogen 3.342 N/A GLN 43.A NE2 SER 39.A O no hydrogen 2.633 N/A ARG 53.A NH1 ASP 167.A OD1 no hydrogen 2.959 N/A ARG 53.A NH1 ASP 167.A OD2 no hydrogen 2.844 N/A ARG 53.A NH2 ASP 25.A O no hydrogen 2.782 N/A TRP 54.A N PRO 51.A O no hydrogen 3.097 N/A LYS 59.A N ALA 76.A O no hydrogen 2.892 N/A GLY 61.A N PHE 64.A O no hydrogen 2.811 N/A THR 62.A N ASN 95.A O no hydrogen 3.174 N/A PHE 64.A N GLY 61.A O no hydrogen 3.108 N/A SER 67.A N ASN 65.A OD1 no hydrogen 3.100 N/A SER 67.A OG ASN 65.A OD1 no hydrogen 2.826 N/A MET 68.A N ASN 65.A O no hydrogen 2.760 N/A ASN 70.A N LEU 73.A O no hydrogen 2.820 N/A ASN 70.A ND2 PHE 42.A O no hydrogen 3.149 N/A ARG 71.A N ASP 44.A OD1 no hydrogen 3.076 N/A ARG 71.A NE MET 47.A O no hydrogen 3.089 N/A ARG 71.A NH2 MET 47.A O no hydrogen 2.694 N/A LYS 72.A N ASN 70.A OD1 no hydrogen 2.775 N/A LYS 72.A NZ ALA 112.A O no hydrogen 2.619 N/A LYS 72.A NZ PRO 134.A O no hydrogen 2.886 N/A LYS 72.A NZ ALA 136.A O no hydrogen 3.009 N/A LEU 73.A N ASN 70.A OD1 no hydrogen 2.675 N/A ILE 74.A N LEU 138.A O no hydrogen 2.925 N/A GLY 75.A N LEU 138.A O no hydrogen 3.251 N/A ALA 76.A N ILE 57.A O no hydrogen 3.113 N/A ASN 77.A N VAL 140.A O no hydrogen 2.842 N/A TYR 78.A OH PRO 60.A O no hydrogen 2.637 N/A PHE 79.A N LYS 142.A O no hydrogen 2.859 N/A ASN 80.A ND2 ASN 95.A OD1 no hydrogen 2.525 N/A GLY 82.A N ASP 153.A OD1 no hydrogen 2.775 N/A ILE 83.A N ASN 80.A O no hydrogen 2.938 N/A LEU 84.A N ASN 80.A O no hydrogen 3.139 N/A ALA 85.A N LYS 81.A O no hydrogen 2.843 N/A ASN 86.A N GLY 82.A O no hydrogen 3.080 N/A ASP 87.A N ILE 83.A O no hydrogen 3.015 N/A THR 89.A N ASP 87.A OD1 no hydrogen 2.575 N/A VAL 90.A N ASP 87.A O no hydrogen 3.096 N/A THR 93.A N GLU 147.A OE1 no hydrogen 2.873 N/A THR 93.A OG1 GLU 147.A OE1 no hydrogen 3.226 N/A ASN 95.A N THR 62.A OG1 no hydrogen 2.883 N/A SER 96.A N MET 94.A O no hydrogen 2.877 N/A SER 96.A OG THR 62.A O no hydrogen 2.706 N/A ARG 98.A N SER 96.A OG no hydrogen 3.385 N/A ARG 98.A NH2 GLU 38.A OE2 no hydrogen 2.391 N/A ASP 99.A N ILE 35.A O no hydrogen 2.782 N/A ASP 101.A N ASP 99.A OD1 no hydrogen 2.693 N/A GLY 102.A N ASP 99.A OD1 no hydrogen 2.764 N/A HIS 103.A N ASP 101.A OD1 no hydrogen 2.907 N/A HIS 103.A NE2 SER 426.A OG no hydrogen 2.940 N/A GLY 104.A N SER 33.A OG no hydrogen 3.141 N/A THR 105.A N ASP 99.A OD2 no hydrogen 2.920 N/A THR 105.A OG1 ASP 99.A OD2 no hydrogen 2.640 N/A HIS 106.A N GLY 102.A O no hydrogen 2.905 N/A HIS 106.A NE2 ILE 396.A O no hydrogen 3.109 N/A CYS 107.A N HIS 103.A O no hydrogen 2.984 N/A CYS 107.A SG HIS 103.A O no hydrogen 3.332 N/A CYS 107.A SG SER 172.A OG no hydrogen 3.599 N/A CYS 107.A SG SER 426.A O no hydrogen 3.724 N/A ALA 108.A N GLY 104.A O no hydrogen 3.007 N/A SER 109.A N THR 105.A O no hydrogen 3.097 N/A SER 109.A OG THR 105.A O no hydrogen 3.178 N/A SER 109.A OG HIS 106.A O no hydrogen 3.071 N/A ILE 110.A N HIS 106.A O no hydrogen 3.082 N/A THR 111.A N CYS 107.A O no hydrogen 3.099 N/A THR 111.A OG1 PRO 430.A O no hydrogen 2.655 N/A ALA 112.A N ALA 108.A O no hydrogen 3.022 N/A GLY 113.A N SER 109.A O no hydrogen 2.576 N/A ASN 114.A N SER 41.A O no hydrogen 2.712 N/A ASN 114.A ND2 GLN 43.A O no hydrogen 2.750 N/A PHE 115.A N ASN 114.A OD1 no hydrogen 2.710 N/A ALA 116.A N ALA 129.A O no hydrogen 2.777 N/A VAL 119.A N GLY 127.A O no hydrogen 3.021 N/A HIS 121.A N TYR 124.A O no hydrogen 2.786 N/A GLY 123.A N SER 120.A OG no hydrogen 2.861 N/A TYR 124.A N HIS 121.A O no hydrogen 2.998 N/A TYR 124.A OH PHE 250.A O no hydrogen 2.634 N/A GLY 127.A N VAL 119.A O no hydrogen 3.049 N/A ALA 129.A N ALA 116.A O no hydrogen 2.928 N/A ARG 130.A N THR 1.A O no hydrogen 3.321 N/A ARG 130.A NE SER 5.A OG no hydrogen 3.071 N/A ARG 130.A NH2 SER 5.A OG no hydrogen 2.979 N/A ARG 130.A NH2 ASP 6.A OD2 no hydrogen 3.162 N/A GLY 131.A N GLY 113.A O no hydrogen 2.649 N/A VAL 132.A N ILE 110.A O no hydrogen 2.999 N/A ALA 133.A N THR 111.A O no hydrogen 3.284 N/A ARG 135.A N LEU 22.A O no hydrogen 2.925 N/A ALA 136.A N ALA 133.A O no hydrogen 3.103 N/A ARG 137.A N VAL 26.A O no hydrogen 3.028 N/A ARG 137.A NE GLN 24.A O no hydrogen 2.540 N/A ARG 137.A NH1 PRO 48.A O no hydrogen 3.002 N/A ARG 137.A NH1 ARG 71.A O no hydrogen 2.549 N/A ARG 137.A NH2 GLN 24.A O no hydrogen 3.251 N/A ARG 137.A NH2 PRO 48.A O no hydrogen 3.032 N/A LEU 138.A N LYS 72.A O no hydrogen 2.802 N/A ALA 139.A N VAL 28.A O no hydrogen 3.201 N/A VAL 140.A N GLY 75.A O no hydrogen 2.877 N/A TYR 141.A N VAL 30.A O no hydrogen 3.075 N/A TYR 141.A OH ASP 164.A OD1 no hydrogen 2.796 N/A LYS 142.A N ASN 77.A O no hydrogen 2.838 N/A LYS 142.A NZ MET 94.A O no hydrogen 3.502 N/A LYS 142.A NZ SER 96.A O no hydrogen 3.152 N/A LYS 142.A NZ ARG 98.A O no hydrogen 3.055 N/A PHE 143.A N ASP 32.A O no hydrogen 2.931 N/A SER 144.A N ASP 32.A O no hydrogen 3.071 N/A SER 144.A OG THR 149.A OG1 no hydrogen 2.772 N/A PHE 145.A N GLY 148.A O no hydrogen 3.025 N/A GLU 147.A N GLU 147.A OE2 no hydrogen 2.674 N/A GLY 148.A N PHE 145.A O no hydrogen 2.895 N/A THR 149.A OG1 SER 144.A OG no hydrogen 2.772 N/A LEU 154.A N PHE 150.A O no hydrogen 2.912 N/A ILE 155.A N THR 151.A O no hydrogen 2.940 N/A ALA 156.A N SER 152.A O no hydrogen 2.825 N/A ALA 157.A N ASP 153.A O no hydrogen 2.823 N/A MET 158.A N LEU 154.A O no hydrogen 2.989 N/A ASP 159.A N ILE 155.A O no hydrogen 2.927 N/A GLN 160.A N ALA 156.A O no hydrogen 3.070 N/A ALA 161.A N ALA 157.A O no hydrogen 2.959 N/A VAL 162.A N MET 158.A O no hydrogen 2.862 N/A ALA 163.A N ASP 159.A O no hydrogen 2.830 N/A ASP 164.A N GLN 160.A O no hydrogen 2.861 N/A ASP 164.A N ALA 161.A O no hydrogen 3.047 N/A GLY 165.A N VAL 162.A O no hydrogen 2.961 N/A VAL 166.A N ALA 161.A O no hydrogen 3.359 N/A ASP 167.A N ILE 27.A O no hydrogen 2.884 N/A MET 168.A N ILE 27.A O no hydrogen 3.116 N/A ILE 169.A N LEU 198.A O no hydrogen 3.021 N/A SER 170.A N ALA 29.A O no hydrogen 2.767 N/A ILE 171.A N SER 200.A O no hydrogen 2.953 N/A SER 172.A OG SER 426.A O no hydrogen 2.806 N/A ARG 176.A NE SER 212.A O no hydrogen 3.265 N/A GLU 182.A N PRO 179.A O no hydrogen 2.694 N/A ASP 183.A N LEU 180.A O no hydrogen 2.971 N/A SER 186.A N ASP 183.A OD1 no hydrogen 2.714 N/A SER 186.A OG SER 217.A OG no hydrogen 2.717 N/A ILE 187.A N ASP 183.A O no hydrogen 2.881 N/A ALA 188.A N ALA 184.A O no hydrogen 3.069 N/A SER 189.A N ILE 185.A O no hydrogen 2.846 N/A SER 189.A OG ILE 185.A O no hydrogen 2.544 N/A PHE 190.A N SER 186.A O no hydrogen 2.844 N/A GLY 191.A N ILE 187.A O no hydrogen 3.448 N/A ALA 192.A N ALA 188.A O no hydrogen 2.952 N/A MET 193.A N SER 189.A O no hydrogen 2.721 N/A MET 194.A N PHE 190.A O no hydrogen 2.893 N/A LYS 195.A N ALA 192.A O no hydrogen 3.023 N/A GLY 196.A N MET 193.A O no hydrogen 2.880 N/A VAL 197.A N ALA 192.A O no hydrogen 2.913 N/A SER 200.A N ILE 169.A O no hydrogen 2.822 N/A ALA 201.A N LEU 221.A O no hydrogen 3.009 N/A ALA 203.A N VAL 223.A O no hydrogen 2.869 N/A GLY 204.A N THR 425.A OG1 no hydrogen 3.101 N/A GLY 207.A N SER 372.A O no hydrogen 2.772 N/A GLY 211.A N GLY 376.A O no hydrogen 2.872 N/A SER 212.A N ARG 375.A O no hydrogen 2.805 N/A SER 212.A OG GLY 209.A O no hydrogen 2.575 N/A LEU 213.A N ARG 375.A O no hydrogen 3.236 N/A ASN 214.A N ALA 203.A O no hydrogen 3.040 N/A ASN 215.A ND2 TYR 173.A O no hydrogen 2.790 N/A ASN 215.A ND2 SER 202.A O no hydrogen 2.853 N/A SER 217.A OG SER 186.A OG no hydrogen 2.717 N/A TRP 219.A NE1 SER 186.A O no hydrogen 2.964 N/A ILE 220.A N SER 217.A O no hydrogen 2.876 N/A LEU 221.A N VAL 199.A O no hydrogen 2.828 N/A CYS 222.A SG ASN 214.A O no hydrogen 3.723 N/A CYS 222.A SG ASN 215.A O no hydrogen 3.751 N/A VAL 223.A N ALA 201.A O no hydrogen 2.927 N/A ALA 224.A N ILE 389.A O no hydrogen 2.870 N/A SER 225.A N SER 373.A OG no hydrogen 2.829 N/A GLY 226.A N ALA 391.A O no hydrogen 2.784 N/A HIS 227.A N VAL 368.A O no hydrogen 2.772 N/A ARG 230.A N THR 228.A OG1 no hydrogen 3.067 N/A THR 231.A N TYR 360.A O no hydrogen 2.788 N/A ALA 233.A N GLU 358.A O no hydrogen 2.766 N/A THR 235.A OG1 GLU 358.A OE1 no hydrogen 2.400 N/A THR 235.A OG1 GLU 358.A OE2 no hydrogen 3.480 N/A LEU 236.A N ILE 244.A O no hydrogen 2.593 N/A THR 237.A N THR 353.A O no hydrogen 2.815 N/A LEU 238.A N LEU 242.A O no hydrogen 2.799 N/A GLY 239.A N THR 351.A O no hydrogen 2.744 N/A GLY 241.A N LEU 238.A O no hydrogen 3.006 N/A ILE 244.A N LEU 236.A O no hydrogen 2.666 N/A ARG 245.A NH1 ASP 362.A OD1 no hydrogen 2.853 N/A ARG 245.A NH1 ASP 362.A OD2 no hydrogen 2.399 N/A ARG 245.A NH2 ASP 362.A OD2 no hydrogen 2.450 N/A GLY 246.A N ILE 244.A O no hydrogen 3.156 N/A TRP 247.A N VAL 331.A O no hydrogen 2.924 N/A SER 248.A N PHE 232.A O no hydrogen 3.143 N/A SER 248.A OG GLY 329.A O no hydrogen 2.778 N/A ALA 254.A N ALA 252.A O no hydrogen 2.808 N/A ASP 258.A N THR 353.A OG1 no hydrogen 2.834 N/A SER 259.A N ALA 352.A O no hydrogen 3.001 N/A SER 259.A OG ARG 257.A O no hydrogen 3.436 N/A VAL 261.A N PRO 350.A O no hydrogen 2.970 N/A ILE 262.A N ILE 286.A O no hydrogen 2.796 N/A TYR 263.A OH ASP 290.A OD2 no hydrogen 3.245 N/A THR 266.A N ASN 264.A OD1 no hydrogen 2.857 N/A THR 266.A OG1 ASN 264.A OD1 no hydrogen 3.415 N/A LEU 267.A N ASN 264.A O no hydrogen 2.678 N/A SER 268.A N ASN 264.A O no hydrogen 2.676 N/A SER 268.A OG ASP 290.A OD2 no hydrogen 2.492 N/A CYS 270.A N LEU 267.A O no hydrogen 2.599 N/A CYS 270.A SG LEU 267.A O no hydrogen 3.919 N/A CYS 270.A SG SER 268.A O no hydrogen 3.752 N/A CYS 270.A SG ILE 288.A O no hydrogen 3.961 N/A SER 271.A OG ASP 269.A OD2 no hydrogen 2.473 N/A LEU 275.A N SER 272.A OG no hydrogen 2.838 N/A LEU 276.A N SER 272.A O no hydrogen 3.142 N/A SER 277.A N GLU 273.A O no hydrogen 2.902 N/A SER 277.A OG GLU 274.A O no hydrogen 2.544 N/A GLN 278.A N LEU 275.A O no hydrogen 2.706 N/A VAL 279.A N LEU 276.A O no hydrogen 3.166 N/A ASN 284.A N ASN 281.A O no hydrogen 3.034 N/A THR 285.A N PRO 282.A O no hydrogen 3.456 N/A ILE 286.A N PRO 260.A O no hydrogen 2.798 N/A VAL 287.A N ALA 309.A O no hydrogen 3.353 N/A ILE 288.A N ILE 262.A O no hydrogen 3.112 N/A CYS 289.A N ILE 311.A O no hydrogen 2.785 N/A ASP 290.A N SER 268.A O no hydrogen 2.670 N/A ASN 292.A ND2 ASP 269.A OD1 no hydrogen 3.452 N/A GLY 293.A N ASP 291.A OD1 no hydrogen 2.966 N/A ASP 294.A N ASN 292.A OD1 no hydrogen 2.798 N/A SER 296.A OG ASP 294.A OD1 no hydrogen 3.501 N/A ASP 297.A N ASP 294.A O no hydrogen 3.200 N/A GLN 298.A N ASP 294.A O no hydrogen 3.259 N/A GLN 298.A NE2 ASP 269.A O no hydrogen 2.747 N/A GLN 298.A NE2 ASP 290.A O no hydrogen 2.759 N/A MET 299.A N PHE 295.A O no hydrogen 2.802 N/A ARG 300.A N SER 296.A O no hydrogen 3.211 N/A ARG 300.A NE ASP 297.A OD1 no hydrogen 3.376 N/A ARG 300.A NH2 ASP 297.A OD1 no hydrogen 2.958 N/A ILE 301.A N ASP 297.A O no hydrogen 2.945 N/A ILE 302.A N GLN 298.A O no hydrogen 2.801 N/A THR 303.A N MET 299.A O no hydrogen 2.836 N/A THR 303.A OG1 MET 299.A O no hydrogen 2.676 N/A ARG 304.A N ARG 300.A O no hydrogen 2.901 N/A ALA 305.A N ILE 301.A O no hydrogen 3.086 N/A ARG 306.A N ILE 302.A O no hydrogen 3.049 N/A ARG 306.A N THR 303.A O no hydrogen 3.229 N/A LYS 308.A N PRO 282.A O no hydrogen 3.028 N/A ILE 311.A N VAL 287.A O no hydrogen 2.972 N/A PHE 312.A N VAL 330.A O no hydrogen 2.679 N/A ILE 313.A N CYS 289.A O no hydrogen 3.028 N/A SER 314.A N VAL 332.A O no hydrogen 2.859 N/A ASP 316.A N SER 314.A OG no hydrogen 3.367 N/A GLY 318.A N ASP 316.A OD1 no hydrogen 2.326 N/A VAL 319.A N ASP 316.A O no hydrogen 2.938 N/A PHE 320.A N PRO 317.A O no hydrogen 3.079 N/A ARG 321.A N GLY 318.A O no hydrogen 3.433 N/A THR 324.A N SER 322.A OG no hydrogen 3.082 N/A ASN 327.A ND2 LEU 307.A O no hydrogen 3.504 N/A ASN 327.A ND2 PRO 328.A O no hydrogen 2.867 N/A VAL 330.A N ALA 310.A O no hydrogen 3.047 N/A VAL 331.A N TRP 247.A O no hydrogen 2.882 N/A VAL 332.A N PHE 312.A O no hydrogen 2.672 N/A ASN 333.A N GLU 336.A OE1 no hydrogen 3.236 N/A LYS 334.A N GLU 315.A OE2 no hydrogen 2.861 N/A GLU 336.A N ASN 333.A OD1 no hydrogen 2.827 N/A GLY 337.A N ASN 333.A O no hydrogen 2.898 N/A LYS 338.A N LYS 334.A O no hydrogen 3.151 N/A LYS 338.A N LYS 335.A O no hydrogen 2.660 N/A GLN 339.A N LYS 335.A O no hydrogen 3.173 N/A VAL 340.A N GLU 336.A O no hydrogen 3.003 N/A ILE 341.A N GLY 337.A O no hydrogen 3.241 N/A ASN 342.A N LYS 338.A O no hydrogen 2.847 N/A TYR 343.A N GLN 339.A O no hydrogen 2.958 N/A TYR 343.A OH THR 351.A O no hydrogen 3.327 N/A VAL 344.A N VAL 340.A O no hydrogen 3.035 N/A LYS 345.A N ILE 341.A O no hydrogen 2.945 N/A ASN 346.A N ASN 342.A O no hydrogen 2.984 N/A SER 347.A N VAL 344.A O no hydrogen 3.303 N/A SER 347.A OG TYR 343.A O no hydrogen 2.765 N/A THR 351.A N TYR 343.A OH no hydrogen 2.806 N/A ALA 352.A N SER 259.A O no hydrogen 2.802 N/A THR 353.A N THR 237.A O no hydrogen 2.738 N/A ILE 354.A N VAL 256.A O no hydrogen 2.995 N/A THR 355.A N THR 235.A O no hydrogen 3.221 N/A THR 355.A OG1 GLU 358.A OE2 no hydrogen 2.325 N/A GLN 357.A N TYR 124.A OH no hydrogen 3.116 N/A GLN 357.A NE2 PHE 122.A O no hydrogen 2.986 N/A TYR 360.A N THR 231.A O no hydrogen 2.831 N/A TYR 360.A OH GLU 358.A OE1 no hydrogen 2.664 N/A THR 363.A N ASP 229.A O no hydrogen 3.048 N/A THR 363.A OG1 ASP 229.A O no hydrogen 3.152 N/A ALA 366.A N ASN 464.A OD1 no hydrogen 2.635 N/A VAL 369.A N LYS 470.A O no hydrogen 2.939 N/A ALA 370.A N SER 225.A O no hydrogen 3.003 N/A SER 373.A N ALA 370.A O no hydrogen 3.025 N/A ALA 374.A N GLY 204.A O no hydrogen 2.922 N/A ARG 375.A N SER 212.A OG no hydrogen 2.955 N/A ARG 375.A NE SER 373.A O no hydrogen 2.631 N/A ARG 375.A NH1 ASP 471.A OD1 no hydrogen 3.535 N/A ARG 375.A NH1 ASP 471.A OD2 no hydrogen 3.260 N/A ARG 375.A NH1 ASP 482.A OD1 no hydrogen 3.125 N/A ARG 375.A NH2 ALA 370.A O no hydrogen 3.160 N/A ARG 375.A NH2 ASP 471.A OD1 no hydrogen 2.941 N/A GLY 376.A N LEU 481.A O no hydrogen 2.900 N/A SER 378.A OG GLY 216.A O no hydrogen 2.480 N/A ARG 379.A NE GLU 640.A O no hydrogen 2.946 N/A ARG 379.A NH1 GLY 211.A O no hydrogen 3.346 N/A SER 380.A N SER 378.A OG no hydrogen 3.092 N/A TYR 381.A N SER 378.A O no hydrogen 2.984 N/A TYR 381.A N SER 378.A OG no hydrogen 3.209 N/A LYS 386.A NZ SER 217.A O no hydrogen 2.903 N/A LYS 386.A NZ ASP 388.A OD1 no hydrogen 2.752 N/A LYS 386.A NZ ASP 388.A OD2 no hydrogen 3.551 N/A ASP 388.A N CYS 222.A O no hydrogen 2.814 N/A LEU 390.A N GLY 486.A O no hydrogen 2.731 N/A ALA 391.A N ALA 224.A O no hydrogen 3.060 N/A GLY 393.A N GLY 226.A O no hydrogen 3.029 N/A VAL 394.A N GLY 226.A O no hydrogen 3.407 N/A LEU 395.A N SER 423.A OG no hydrogen 2.565 N/A ILE 396.A N GLU 422.A O no hydrogen 2.798 N/A ALA 398.A N ILE 420.A O no hydrogen 3.157 N/A ALA 399.A N SER 109.A OG no hydrogen 2.941 N/A TYR 400.A N ASP 418.A O no hydrogen 2.794 N/A ALA 406.A N LEU 415.A O no hydrogen 2.823 N/A THR 407.A N LEU 415.A O no hydrogen 3.407 N/A THR 407.A OG1 ALA 323.A O no hydrogen 3.431 N/A SER 408.A N THR 407.A OG1 no hydrogen 2.776 N/A SER 408.A OG ILE 413.A O no hydrogen 3.187 N/A ILE 409.A N ILE 413.A O no hydrogen 2.837 N/A GLY 410.A N PRO 326.A O no hydrogen 2.804 N/A ILE 413.A N ILE 409.A O no hydrogen 3.112 N/A LEU 415.A N THR 407.A O no hydrogen 2.838 N/A SER 416.A OG PRO 402.A O no hydrogen 3.114 N/A THR 417.A OG1 TYR 419.A O no hydrogen 2.922 N/A TYR 419.A N THR 417.A OG1 no hydrogen 3.149 N/A TYR 419.A OH SER 41.A OG no hydrogen 2.565 N/A ILE 420.A N ALA 398.A O no hydrogen 2.962 N/A LEU 421.A N HIS 121.A ND1 no hydrogen 2.991 N/A GLU 422.A N ILE 396.A O no hydrogen 2.914 N/A SER 423.A OG ARG 321.A O no hydrogen 2.854 N/A GLY 424.A N GLY 393.A O no hydrogen 2.758 N/A THR 425.A N ASN 205.A OD1 no hydrogen 2.947 N/A THR 425.A OG1 ASN 205.A OD1 no hydrogen 3.172 N/A SER 426.A OG HIS 103.A NE2 no hydrogen 2.940 N/A MET 427.A N GLY 424.A O no hydrogen 2.909 N/A ALA 429.A N THR 425.A O no hydrogen 3.079 N/A HIS 431.A N ALA 428.A O no hydrogen 2.835 N/A HIS 431.A ND1 MET 427.A O no hydrogen 2.969 N/A ALA 432.A N ALA 428.A O no hydrogen 3.310 N/A ALA 433.A N ALA 429.A O no hydrogen 2.868 N/A GLY 434.A N PRO 430.A O no hydrogen 3.155 N/A ILE 435.A N HIS 431.A O no hydrogen 3.160 N/A ALA 436.A N ALA 432.A O no hydrogen 2.721 N/A ALA 437.A N ALA 433.A O no hydrogen 2.904 N/A MET 438.A N GLY 434.A O no hydrogen 3.003 N/A LEU 439.A N ILE 435.A O no hydrogen 2.903 N/A LYS 440.A N ALA 436.A O no hydrogen 3.027 N/A LYS 440.A NZ PRO 444.A O no hydrogen 3.197 N/A LYS 440.A NZ TRP 446.A O no hydrogen 3.200 N/A ALA 441.A N ALA 437.A O no hydrogen 3.008 N/A ALA 442.A N MET 438.A O no hydrogen 2.868 N/A HIS 443.A N LEU 439.A O no hydrogen 2.864 N/A TRP 446.A N HIS 443.A O no hydrogen 3.158 N/A SER 447.A OG ASP 501.A OD1 no hydrogen 2.852 N/A SER 449.A OG TYR 507.A OH no hydrogen 2.395 N/A ALA 450.A N SER 447.A OG no hydrogen 2.983 N/A ILE 451.A N SER 447.A O no hydrogen 2.956 N/A ARG 452.A N PRO 448.A O no hydrogen 3.041 N/A ARG 452.A NH1 PRO 218.A O no hydrogen 2.987 N/A ARG 452.A NH2 PRO 218.A O no hydrogen 2.920 N/A SER 453.A N SER 449.A O no hydrogen 2.945 N/A ALA 454.A N ALA 450.A O no hydrogen 2.729 N/A MET 455.A N ILE 451.A O no hydrogen 3.167 N/A MET 456.A N ARG 452.A O no hydrogen 3.084 N/A MET 456.A N SER 453.A O no hydrogen 3.002 N/A THR 457.A N SER 453.A O no hydrogen 2.959 N/A THR 457.A OG1 SER 453.A O no hydrogen 3.083 N/A ALA 459.A N MET 456.A O no hydrogen 2.923 N/A ASP 460.A N HIS 487.A O no hydrogen 2.976 N/A LEU 462.A N ASP 460.A OD2 no hydrogen 2.535 N/A ASP 463.A N LYS 467.A O no hydrogen 2.759 N/A ASN 464.A N ALA 366.A O no hydrogen 2.737 N/A ASN 464.A ND2 THR 363.A O no hydrogen 2.927 N/A THR 465.A N ASP 463.A OD1 no hydrogen 2.345 N/A THR 465.A OG1 ASP 463.A OD1 no hydrogen 2.298 N/A THR 465.A OG1 ASP 463.A OD2 no hydrogen 2.996 N/A ARG 466.A N ASP 463.A O no hydrogen 2.709 N/A ARG 466.A NE ASP 463.A O no hydrogen 3.614 N/A ARG 466.A NH2 ASP 460.A OD1 no hydrogen 2.804 N/A LYS 467.A N THR 465.A OG1 no hydrogen 3.346 N/A ILE 469.A N PRO 461.A O no hydrogen 2.918 N/A LYS 470.A NZ PRO 468.A O no hydrogen 2.893 N/A ASP 471.A N LYS 476.A O no hydrogen 2.769 N/A SER 472.A N VAL 369.A O no hydrogen 2.902 N/A ASP 473.A N ASP 471.A OD1 no hydrogen 3.067 N/A ASN 474.A N ASP 471.A O no hydrogen 3.071 N/A ASN 474.A ND2 ASP 471.A O no hydrogen 2.832 N/A ASN 474.A ND2 LYS 476.A O no hydrogen 3.677 N/A ASN 475.A N ASP 471.A O no hydrogen 2.598 N/A ALA 478.A N ILE 469.A O no hydrogen 2.643 N/A THR 479.A N ASP 482.A OD2 no hydrogen 2.605 N/A ASP 482.A N THR 479.A O no hydrogen 2.796 N/A MET 483.A N THR 479.A O no hydrogen 2.851 N/A GLY 484.A N PRO 480.A O no hydrogen 2.597 N/A ALA 485.A N ASP 388.A O no hydrogen 2.817 N/A GLY 486.A N MET 483.A O no hydrogen 3.032 N/A HIS 487.A N ASP 460.A O no hydrogen 2.838 N/A VAL 488.A N LEU 390.A O no hydrogen 3.089 N/A ASN 491.A ND2 LYS 9.A O no hydrogen 3.132 N/A ARG 492.A NH2 SER 628.A O no hydrogen 2.888 N/A ALA 493.A N ASP 489.A O no hydrogen 3.076 N/A LEU 494.A N PRO 490.A O no hydrogen 3.179 N/A LEU 494.A N ASN 491.A O no hydrogen 3.267 N/A ASP 495.A N ARG 492.A O no hydrogen 2.733 N/A LEU 498.A N PRO 496.A O no hydrogen 2.910 N/A VAL 499.A N THR 566.A O no hydrogen 3.046 N/A TYR 500.A N SER 453.A OG no hydrogen 2.807 N/A TYR 500.A OH TYR 602.A OH no hydrogen 2.720 N/A ALA 502.A N ASP 501.A OD1 no hydrogen 2.561 N/A THR 503.A N ASP 506.A OD2 no hydrogen 2.728 N/A THR 503.A OG1 ASP 506.A OD2 no hydrogen 2.687 N/A ASP 506.A N THR 503.A O no hydrogen 2.804 N/A ASP 506.A N THR 503.A OG1 no hydrogen 3.368 N/A TYR 507.A N THR 503.A O no hydrogen 3.374 N/A TYR 507.A N PRO 504.A O no hydrogen 2.857 N/A TYR 507.A OH SER 449.A OG no hydrogen 2.395 N/A VAL 508.A N PRO 504.A O no hydrogen 3.111 N/A ASN 509.A N GLN 505.A O no hydrogen 2.965 N/A LEU 510.A N ASP 506.A O no hydrogen 3.127 N/A LEU 511.A N TYR 507.A O no hydrogen 2.643 N/A CYS 512.A N VAL 508.A O no hydrogen 2.701 N/A CYS 512.A SG CYS 532.A O no hydrogen 3.324 N/A SER 513.A N ASN 509.A O no hydrogen 3.237 N/A SER 513.A N LEU 510.A O no hydrogen 2.991 N/A SER 513.A OG LEU 510.A O no hydrogen 2.752 N/A LEU 514.A N LEU 511.A O no hydrogen 3.067 N/A ASN 515.A N CYS 512.A O no hydrogen 3.375 N/A THR 517.A N GLN 520.A OE1 no hydrogen 2.972 N/A GLN 520.A N THR 517.A OG1 no hydrogen 3.147 N/A PHE 521.A N THR 517.A O no hydrogen 2.883 N/A LYS 522.A N GLU 518.A O no hydrogen 3.046 N/A THR 523.A N GLU 519.A O no hydrogen 2.896 N/A THR 523.A OG1 GLU 519.A O no hydrogen 3.111 N/A ILE 524.A N GLN 520.A O no hydrogen 3.231 N/A ALA 525.A N PHE 521.A O no hydrogen 2.994 N/A ARG 526.A NH2 ASP 159.A OD1 no hydrogen 2.857 N/A SER 528.A N ALA 525.A O no hydrogen 2.821 N/A SER 528.A OG ALA 525.A O no hydrogen 2.640 N/A CYS 532.A SG VAL 508.A O no hydrogen 4.019 N/A SER 536.A N ASN 509.A O no hydrogen 3.074 N/A LEU 539.A N ALA 537.A O no hydrogen 2.694 N/A ASN 540.A ND2 ASP 501.A O no hydrogen 2.610 N/A ASN 540.A ND2 THR 564.A O no hydrogen 2.856 N/A TYR 541.A OH ASP 388.A OD2 no hydrogen 2.333 N/A PHE 544.A N PRO 632.A O no hydrogen 2.999 N/A ALA 546.A N VAL 634.A O no hydrogen 2.794 N/A TYR 548.A N SER 636.A O no hydrogen 2.927 N/A TYR 548.A OH SER 612.A O no hydrogen 2.644 N/A GLU 551.A N SER 549.A OG no hydrogen 2.975 N/A LEU 557.A N TYR 608.A O no hydrogen 2.611 N/A GLN 559.A N ILE 606.A O no hydrogen 2.896 N/A LYS 560.A NZ GLU 558.A OE2 no hydrogen 2.646 N/A PHE 561.A N LEU 604.A O no hydrogen 2.708 N/A LYS 562.A N ASP 538.A OD2 no hydrogen 2.873 N/A ARG 563.A N TYR 602.A O no hydrogen 2.960 N/A ARG 563.A NE TYR 541.A O no hydrogen 2.594 N/A ARG 563.A NH1 ASP 538.A OD1 no hydrogen 3.363 N/A ARG 563.A NH1 LYS 562.A O no hydrogen 3.063 N/A ARG 563.A NH2 SER 543.A O no hydrogen 3.092 N/A THR 564.A N ASN 540.A OD1 no hydrogen 3.002 N/A THR 564.A OG1 SER 601.A OG no hydrogen 2.944 N/A VAL 565.A N GLN 600.A O no hydrogen 2.774 N/A THR 566.A N VAL 499.A O no hydrogen 3.035 N/A ASN 567.A N GLU 598.A O no hydrogen 3.000 N/A VAL 568.A N GLY 497.A O no hydrogen 2.748 N/A GLY 569.A N ASN 567.A OD1 no hydrogen 2.985 N/A ALA 571.A N PHE 594.A O no hydrogen 2.972 N/A TYR 573.A N LEU 592.A O no hydrogen 2.861 N/A LYS 574.A N VAL 621.A O no hydrogen 3.088 N/A ALA 575.A N GLN 590.A O no hydrogen 3.200 N/A LYS 576.A N THR 619.A O no hydrogen 2.784 N/A LYS 578.A N SER 617.A O no hydrogen 3.082 N/A SER 583.A OG PRO 580.A O no hydrogen 2.763 N/A THR 584.A N ARG 607.A O no hydrogen 2.867 N/A SER 586.A N THR 605.A O no hydrogen 2.901 N/A SER 588.A N THR 603.A O no hydrogen 3.112 N/A LEU 592.A N TYR 573.A O no hydrogen 2.869 N/A PHE 594.A N ALA 571.A O no hydrogen 2.737 N/A LYS 595.A N GLU 598.A OE1 no hydrogen 2.597 N/A GLU 598.A N ASN 596.A O no hydrogen 3.150 N/A GLN 600.A N VAL 565.A O no hydrogen 3.060 N/A SER 601.A OG THR 564.A OG1 no hydrogen 2.944 N/A TYR 602.A N ARG 563.A O no hydrogen 2.856 N/A TYR 602.A OH TYR 500.A OH no hydrogen 2.720 N/A THR 603.A N SER 588.A O no hydrogen 2.847 N/A LEU 604.A N PHE 561.A O no hydrogen 2.839 N/A THR 605.A N SER 586.A O no hydrogen 2.802 N/A ILE 606.A N GLN 559.A O no hydrogen 2.931 N/A ARG 607.A N THR 584.A O no hydrogen 2.740 N/A ARG 607.A NE GLU 558.A OE1 no hydrogen 2.906 N/A TYR 608.A N LEU 557.A O no hydrogen 2.848 N/A TYR 608.A OH LEU 547.A O no hydrogen 2.677 N/A SER 612.A OG ASP 611.A OD2 no hydrogen 3.164 N/A ASN 614.A N THR 635.A OG1 no hydrogen 3.090 N/A ASN 614.A ND2 LYS 581.A O no hydrogen 3.207 N/A GLY 616.A N ILE 633.A O no hydrogen 2.934 N/A SER 617.A N LYS 578.A O no hydrogen 2.799 N/A ILE 618.A N SER 631.A O no hydrogen 2.887 N/A THR 619.A N LYS 576.A O no hydrogen 2.986 N/A TRP 620.A N VAL 629.A O no hydrogen 2.801 N/A VAL 621.A N LYS 574.A O no hydrogen 3.140 N/A GLU 622.A N HIS 627.A O no hydrogen 2.939 N/A GLN 623.A N THR 572.A O no hydrogen 3.142 N/A GLN 623.A NE2 VAL 621.A O no hydrogen 2.920 N/A HIS 627.A N GLU 622.A OE2 no hydrogen 3.426 N/A HIS 627.A ND1 GLU 622.A OE2 no hydrogen 3.036 N/A HIS 627.A NE2 ASP 495.A OD1 no hydrogen 2.443 N/A VAL 629.A N TRP 620.A O no hydrogen 2.971 N/A ARG 630.A N THR 457.A O no hydrogen 3.060 N/A ARG 630.A NH1 ALA 485.A O no hydrogen 2.903 N/A SER 631.A N ILE 618.A O no hydrogen 2.976 N/A SER 631.A OG PRO 542.A O no hydrogen 2.899 N/A ILE 633.A N GLY 616.A O no hydrogen 2.828 N/A VAL 634.A N PHE 544.A O no hydrogen 2.921 N/A THR 635.A N ASN 614.A O no hydrogen 2.951 N/A SER 636.A N ALA 546.A O no hydrogen 2.932 N/A SER 636.A OG PRO 637.A O no hydrogen 2.952 N/A ILE 638.A N TYR 548.A O no hydrogen 3.120 N/A TRP 642.A N ARG 379.A O no hydrogen 2.917 N/A