Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ott_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH ASP 232.A OD2 no hydrogen 2.829 N/A PHE 4.A N GLN 266.A O no hydrogen 2.963 N/A ASP 5.A N LEU 294.A O no hydrogen 2.883 N/A ASN 6.A ND2 ILE 265.A O no hydrogen 3.168 N/A ASN 6.A ND2 SER 267.A O no hydrogen 2.757 N/A ILE 7.A N ILE 292.A O no hydrogen 2.781 N/A TYR 8.A OH THR 269.A OG1 no hydrogen 2.750 N/A VAL 15.A N ASN 32.A OD1 no hydrogen 2.844 N/A VAL 16.A N THR 288.A O no hydrogen 3.049 N/A SER 17.A N GLY 30.A O no hydrogen 3.091 N/A SER 17.A OG ILE 57.A O no hydrogen 3.547 N/A LEU 20.A N TRP 28.A O no hydrogen 2.972 N/A GLN 21.A NE2 GLY 25.A O no hydrogen 2.826 N/A ASP 22.A N LEU 26.A O no hydrogen 3.081 N/A SER 23.A OG ASN 65.A OD1 no hydrogen 2.537 N/A GLU 24.A N ASP 22.A OD1 no hydrogen 3.007 N/A GLY 25.A N ASP 22.A O no hydrogen 2.835 N/A LEU 26.A N ASP 22.A OD1 no hydrogen 3.117 N/A ILE 27.A N TYR 662.A OH no hydrogen 3.172 N/A TRP 28.A N LEU 20.A O no hydrogen 2.732 N/A TRP 28.A NE1 ASP 22.A OD2 no hydrogen 2.863 N/A ILE 29.A N PHE 36.A O no hydrogen 2.724 N/A GLY 30.A N CYS 18.A O no hydrogen 2.946 N/A SER 31.A N GLY 34.A O no hydrogen 3.044 N/A SER 31.A OG GLY 34.A O no hydrogen 2.947 N/A ASN 32.A N VAL 15.A O no hydrogen 2.883 N/A ASN 32.A ND2 GLU 12.A O no hydrogen 3.149 N/A LYS 33.A N SER 31.A OG no hydrogen 2.960 N/A PHE 36.A N ILE 29.A O no hydrogen 2.765 N/A SER 37.A N GLN 44.A O no hydrogen 2.880 N/A SER 37.A OG HIS 46.A NE2 no hydrogen 2.692 N/A TYR 38.A N ILE 27.A O no hydrogen 2.980 N/A ASP 39.A N SER 42.A O no hydrogen 3.460 N/A TYR 41.A N ASP 39.A OD1 no hydrogen 2.741 N/A SER 42.A N ASP 39.A OD1 no hydrogen 3.005 N/A SER 42.A OG GLU 656.A OE1 no hydrogen 3.415 N/A GLN 44.A N SER 37.A O no hydrogen 2.838 N/A HIS 46.A N LEU 35.A O no hydrogen 3.000 N/A HIS 46.A NE2 SER 37.A OG no hydrogen 2.692 N/A THR 48.A N ASN 53.A OD1 no hydrogen 3.036 N/A GLY 50.A N ASN 54.A OD1 no hydrogen 2.984 N/A GLU 51.A N THR 48.A O no hydrogen 3.174 N/A ASN 53.A ND2 GLU 51.A OE1 no hydrogen 3.020 N/A ASN 54.A N GLU 51.A O no hydrogen 3.058 N/A ASN 54.A ND2 LYS 33.A O no hydrogen 2.918 N/A ARG 56.A NH2 SER 17.A OG no hydrogen 3.179 N/A ILE 57.A N SER 31.A O no hydrogen 2.947 N/A TYR 58.A N GLY 71.A O no hydrogen 2.852 N/A TYR 58.A OH ASP 73.A OD1 no hydrogen 2.464 N/A VAL 61.A N TYR 69.A O no hydrogen 2.880 N/A ILE 63.A N TYR 67.A O no hydrogen 2.849 N/A THR 66.A N ILE 63.A O no hydrogen 2.981 N/A THR 66.A OG1 ASN 80.A OD1 no hydrogen 3.019 N/A TYR 67.A N ILE 63.A O no hydrogen 2.900 N/A LEU 68.A N TYR 79.A O no hydrogen 2.454 N/A TYR 69.A N VAL 61.A O no hydrogen 2.789 N/A MET 70.A N LEU 77.A O no hydrogen 2.820 N/A GLY 71.A N CYS 59.A O no hydrogen 2.892 N/A THR 72.A N GLY 75.A O no hydrogen 2.872 N/A GLY 75.A N THR 72.A O no hydrogen 3.300 N/A LEU 77.A N MET 70.A O no hydrogen 2.975 N/A VAL 78.A N GLN 88.A OE1 no hydrogen 2.884 N/A TYR 79.A N LEU 68.A O no hydrogen 2.861 N/A TYR 79.A OH ASP 84.A OD1 no hydrogen 2.181 N/A ASN 80.A N ARG 85.A O no hydrogen 2.838 N/A ASN 80.A ND2 GLU 87.A OE1 no hydrogen 2.799 N/A TYR 81.A N THR 66.A O no hydrogen 3.149 N/A ARG 82.A N ASN 80.A OD1 no hydrogen 3.113 N/A ARG 82.A NH1 ASN 65.A O no hydrogen 2.760 N/A ALA 83.A N ASN 80.A OD1 no hydrogen 3.020 N/A ARG 85.A N ASN 80.A O no hydrogen 3.159 N/A ARG 85.A NH1 PRO 629.A O no hydrogen 2.804 N/A TYR 86.A OH HIS 46.A O no hydrogen 2.680 N/A GLU 87.A N VAL 78.A O no hydrogen 2.904 N/A GLN 88.A NE2 ILE 76.A O no hydrogen 2.898 N/A THR 91.A OG1 TYR 118.A OH no hydrogen 2.679 N/A THR 95.A OG1 ASP 96.A OD2 no hydrogen 2.465 N/A ASP 96.A N ASP 73.A O no hydrogen 2.939 N/A VAL 97.A N THR 72.A O no hydrogen 3.116 N/A ARG 98.A N GLY 110.A O no hydrogen 2.792 N/A THR 99.A N GLY 110.A O no hydrogen 3.025 N/A ALA 101.A N TRP 108.A O no hydrogen 3.045 N/A GLN 103.A N THR 106.A O no hydrogen 2.914 N/A GLN 103.A NE2 ASN 149.A O no hydrogen 3.482 N/A GLN 103.A NE2 ASN 149.A OD1 no hydrogen 3.239 N/A THR 106.A N GLN 103.A O no hydrogen 3.139 N/A LEU 107.A N TYR 118.A O no hydrogen 2.718 N/A TRP 108.A N ALA 101.A O no hydrogen 2.907 N/A TRP 108.A NE1 GLN 103.A OE1 no hydrogen 2.839 N/A LEU 109.A N TYR 116.A O no hydrogen 2.738 N/A GLY 110.A N THR 99.A O no hydrogen 2.784 N/A ALA 111.A N GLY 114.A O no hydrogen 2.812 N/A LEU 112.A N ASP 96.A O no hydrogen 3.021 N/A GLY 114.A N ALA 111.A O no hydrogen 3.410 N/A TYR 116.A N LEU 109.A O no hydrogen 2.884 N/A THR 117.A N THR 126.A O no hydrogen 2.961 N/A TYR 118.A N LEU 107.A O no hydrogen 2.760 N/A TYR 118.A OH THR 91.A OG1 no hydrogen 2.679 N/A GLN 119.A N LYS 124.A O no hydrogen 3.036 N/A LEU 120.A N ASP 105.A O no hydrogen 3.016 N/A GLN 121.A N GLN 119.A OE1 no hydrogen 2.953 N/A SER 122.A N GLN 119.A OE1 no hydrogen 3.105 N/A SER 122.A OG GLN 119.A OE1 no hydrogen 3.469 N/A LYS 124.A N SER 122.A OG no hydrogen 3.151 N/A THR 126.A N THR 117.A O no hydrogen 2.986 N/A PHE 128.A N LEU 115.A O no hydrogen 2.844 N/A ASP 129.A N ASN 133.A OD1 no hydrogen 2.920 N/A THR 130.A N ASN 138.A OD1 no hydrogen 3.208 N/A THR 130.A OG1 LEU 135.A O no hydrogen 3.002 N/A ARG 132.A N ASP 129.A OD1 no hydrogen 2.759 N/A ASN 133.A N ASP 129.A O no hydrogen 2.949 N/A ASN 133.A ND2 GLY 167.A O no hydrogen 3.005 N/A GLY 134.A N THR 130.A O no hydrogen 3.199 N/A THR 139.A N ASN 137.A OD1 no hydrogen 2.942 N/A THR 139.A OG1 LEU 112.A O no hydrogen 2.637 N/A ILE 140.A N ALA 111.A O no hydrogen 2.972 N/A TYR 141.A N GLY 154.A O no hydrogen 2.869 N/A SER 142.A N GLY 154.A O no hydrogen 3.269 N/A ILE 144.A N TYR 152.A O no hydrogen 3.100 N/A ARG 145.A NE ASN 149.A OD1 no hydrogen 2.738 N/A ARG 145.A NH2 ASN 149.A OD1 no hydrogen 3.265 N/A THR 146.A N GLN 150.A O no hydrogen 2.903 N/A THR 146.A OG1 ASP 148.A OD1 no hydrogen 2.401 N/A THR 146.A OG1 GLN 150.A O no hydrogen 3.400 N/A LYS 147.A N GLU 190.A OE2 no hydrogen 3.044 N/A ASN 149.A N THR 146.A O no hydrogen 2.872 N/A GLN 150.A N THR 146.A OG1 no hydrogen 3.161 N/A GLN 150.A NE2 ASP 148.A OD2 no hydrogen 3.247 N/A TYR 152.A N ILE 144.A O no hydrogen 2.921 N/A VAL 153.A N CYS 160.A O no hydrogen 2.838 N/A GLY 154.A N SER 142.A O no hydrogen 2.681 N/A THR 155.A N GLY 158.A O no hydrogen 2.901 N/A THR 155.A OG1 GLY 158.A O no hydrogen 2.808 N/A TYR 156.A N THR 139.A O no hydrogen 3.024 N/A ASN 157.A N THR 155.A OG1 no hydrogen 2.976 N/A CYS 160.A N VAL 153.A O no hydrogen 3.075 N/A CYS 160.A SG VAL 153.A O no hydrogen 3.859 N/A ARG 161.A N GLU 170.A O no hydrogen 2.910 N/A ARG 161.A NH1 TYR 152.A OH no hydrogen 3.386 N/A ARG 161.A NH1 TYR 208.A OH no hydrogen 2.866 N/A ARG 161.A NH2 GLU 170.A OE2 no hydrogen 3.202 N/A TYR 162.A N ILE 151.A O no hydrogen 3.057 N/A ILE 163.A N LYS 168.A O no hydrogen 2.698 N/A GLY 167.A N ILE 163.A O no hydrogen 2.987 N/A LYS 168.A N ASN 166.A OD1 no hydrogen 2.706 N/A LYS 168.A NZ ARG 132.A O no hydrogen 3.182 N/A PHE 169.A N ASN 133.A O no hydrogen 3.224 N/A GLU 170.A N ARG 161.A O no hydrogen 2.795 N/A ILE 172.A N LEU 159.A O no hydrogen 2.912 N/A LEU 174.A N ILE 172.A O no hydrogen 2.852 N/A GLN 180.A N HIS 177.A O no hydrogen 3.011 N/A ASN 182.A ND2 TYR 156.A O no hydrogen 2.742 N/A LEU 183.A N ASN 157.A OD1 no hydrogen 2.960 N/A VAL 185.A N THR 155.A O no hydrogen 3.054 N/A ASN 186.A N GLY 200.A O no hydrogen 2.870 N/A ASN 186.A ND2 GLU 202.A OE2 no hydrogen 2.739 N/A ASN 186.A ND2 ILE 226.A O no hydrogen 3.114 N/A LEU 189.A N TRP 198.A O no hydrogen 3.071 N/A ASP 191.A N CYS 196.A O no hydrogen 2.690 N/A THR 193.A N ASP 191.A OD1 no hydrogen 3.239 N/A ARG 194.A N ASP 191.A OD1 no hydrogen 2.982 N/A ARG 194.A NH1 ASP 191.A OD2 no hydrogen 2.683 N/A ARG 194.A NH1 GLY 235.A O no hydrogen 2.888 N/A ARG 194.A NH2 GLY 235.A O no hydrogen 3.006 N/A ARG 194.A NH2 HIS 249.A O no hydrogen 2.993 N/A CYS 196.A N ASP 191.A O no hydrogen 2.816 N/A CYS 196.A SG GLN 207.A OE1 no hydrogen 3.604 N/A VAL 197.A N TYR 208.A O no hydrogen 2.903 N/A TRP 198.A N LEU 189.A O no hydrogen 2.830 N/A TRP 198.A NE1 ASP 191.A OD2 no hydrogen 2.924 N/A ILE 199.A N PHE 206.A O no hydrogen 2.905 N/A GLY 200.A N SER 187.A O no hydrogen 3.059 N/A THR 201.A N TYR 204.A O no hydrogen 3.169 N/A THR 201.A OG1 TYR 204.A O no hydrogen 2.698 N/A LEU 205.A N GLU 219.A O no hydrogen 3.014 N/A PHE 206.A N ILE 199.A O no hydrogen 2.961 N/A GLN 207.A N LYS 216.A O no hydrogen 2.754 N/A GLN 207.A NE2 THR 218.A OG1 no hydrogen 2.516 N/A TYR 208.A N VAL 197.A O no hydrogen 2.855 N/A PHE 209.A N GLN 214.A O no hydrogen 2.924 N/A THR 212.A N PHE 209.A O no hydrogen 3.172 N/A GLY 213.A N PHE 209.A O no hydrogen 2.746 N/A GLN 214.A N THR 212.A OG1 no hydrogen 3.255 N/A LYS 216.A N GLN 207.A O no hydrogen 2.713 N/A LYS 216.A NZ ASP 251.A OD1 no hydrogen 2.433 N/A LYS 216.A NZ ASP 251.A OD2 no hydrogen 3.402 N/A THR 218.A N LEU 205.A O no hydrogen 2.983 N/A GLU 219.A N LEU 205.A O no hydrogen 3.305 N/A PHE 221.A N GLY 203.A O no hydrogen 2.937 N/A ASN 224.A N PHE 221.A O no hydrogen 3.049 N/A SER 225.A N ASP 242.A OD1 no hydrogen 2.780 N/A SER 225.A OG GLU 202.A OE1 no hydrogen 3.050 N/A SER 225.A OG GLU 202.A OE2 no hydrogen 2.486 N/A ILE 226.A N THR 201.A O no hydrogen 3.168 N/A LYS 227.A N GLY 240.A O no hydrogen 2.666 N/A LYS 227.A NZ SER 225.A OG no hydrogen 3.045 N/A SER 228.A N GLY 240.A O no hydrogen 3.191 N/A SER 228.A OG ILE 273.A O no hydrogen 3.227 N/A ALA 230.A N LEU 238.A O no hydrogen 3.030 N/A ASP 232.A N ASP 236.A O no hydrogen 3.112 N/A GLY 235.A N ASP 232.A O no hydrogen 2.808 N/A ASP 236.A N ASP 232.A OD1 no hydrogen 2.854 N/A LEU 237.A N TYR 248.A O no hydrogen 2.850 N/A LEU 238.A N ALA 230.A O no hydrogen 2.804 N/A ALA 239.A N TYR 246.A O no hydrogen 2.823 N/A GLY 240.A N SER 228.A O no hydrogen 2.749 N/A THR 241.A N GLY 244.A O no hydrogen 3.181 N/A THR 241.A OG1 GLY 244.A O no hydrogen 2.787 N/A ASN 243.A N THR 241.A OG1 no hydrogen 2.860 N/A GLY 244.A N ASN 271.A O no hydrogen 2.857 N/A LEU 245.A N ILE 258.A O no hydrogen 2.842 N/A TYR 246.A N ALA 239.A O no hydrogen 3.030 N/A VAL 247.A N GLN 256.A O no hydrogen 2.986 N/A TYR 248.A N LEU 237.A O no hydrogen 2.798 N/A TYR 248.A OH ASP 251.A OD2 no hydrogen 2.572 N/A HIS 249.A ND1 ASP 236.A OD1 no hydrogen 2.898 N/A THR 252.A N ASN 250.A OD1 no hydrogen 3.262 N/A THR 252.A OG1 ASN 250.A OD1 no hydrogen 3.334 N/A THR 253.A N ASN 250.A O no hydrogen 3.305 N/A THR 253.A OG1 ASN 250.A OD1 no hydrogen 2.656 N/A GLN 256.A N VAL 247.A O no hydrogen 3.193 N/A HIS 257.A NE2 ASN 243.A O no hydrogen 2.676 N/A ILE 258.A N LEU 245.A O no hydrogen 2.701 N/A HIS 260.A N ASN 271.A OD1 no hydrogen 2.881 N/A HIS 260.A ND1 LEU 268.A O no hydrogen 2.800 N/A ASP 261.A N SER 267.A OG no hydrogen 2.976 N/A ARG 263.A N ASP 261.A OD1 no hydrogen 3.029 N/A ASN 264.A N ASP 261.A O no hydrogen 3.060 N/A GLN 266.A N ASN 264.A OD1 no hydrogen 2.693 N/A SER 267.A N ASN 264.A O no hydrogen 3.153 N/A SER 267.A OG ASP 261.A O no hydrogen 3.040 N/A SER 267.A OG ASN 264.A O no hydrogen 2.786 N/A SER 267.A OG LEU 268.A O no hydrogen 3.414 N/A THR 269.A N SER 293.A OG no hydrogen 3.024 N/A THR 269.A OG1 TYR 8.A OH no hydrogen 2.750 N/A THR 269.A OG1 TYR 290.A O no hydrogen 2.720 N/A ILE 272.A N ASN 270.A OD1 no hydrogen 2.949 N/A ILE 273.A N THR 241.A O no hydrogen 3.006 N/A TRP 274.A NE1 ASP 289.A OD1 no hydrogen 2.833 N/A ASN 275.A N GLY 287.A O no hydrogen 3.360 N/A PHE 277.A N TRP 285.A O no hydrogen 2.872 N/A ASP 279.A N ASN 283.A O no hydrogen 2.870 N/A GLN 280.A N GLN 21.A OE1 no hydrogen 2.900 N/A GLU 281.A N ASP 279.A OD2 no hydrogen 2.958 N/A HIS 282.A N ASP 279.A O no hydrogen 2.983 N/A ASN 283.A N ASP 279.A OD2 no hydrogen 2.851 N/A ASN 283.A ND2 ASP 279.A OD1 no hydrogen 2.990 N/A ASN 283.A ND2 SER 663.A OG no hydrogen 2.723 N/A ILE 284.A N SER 295.A O no hydrogen 3.071 N/A TRP 285.A N PHE 277.A O no hydrogen 2.732 N/A TRP 285.A NE1 ASP 279.A OD1 no hydrogen 3.013 N/A LEU 286.A N SER 293.A O no hydrogen 2.774 N/A GLY 287.A N ASN 275.A O no hydrogen 2.784 N/A THR 288.A N GLY 291.A O no hydrogen 3.195 N/A THR 288.A OG1 GLY 291.A O no hydrogen 2.903 N/A ASP 289.A N ASN 270.A OD1 no hydrogen 3.342 N/A ASP 289.A N ILE 272.A O no hydrogen 3.041 N/A TYR 290.A N THR 288.A OG1 no hydrogen 2.974 N/A GLY 291.A N SER 14.A O no hydrogen 2.860 N/A ILE 292.A N ILE 7.A O no hydrogen 2.894 N/A SER 293.A N LEU 286.A O no hydrogen 3.062 N/A SER 293.A OG ASN 6.A OD1 no hydrogen 2.289 N/A LEU 294.A N ASP 5.A O no hydrogen 2.924 N/A SER 295.A N ILE 284.A O no hydrogen 2.920 N/A TYR 297.A N ASN 283.A OD1 no hydrogen 2.807 N/A ILE 303.A N PHE 601.A O no hydrogen 2.704 N/A ILE 305.A N ASP 599.A O no hydrogen 3.168 N/A GLN 307.A N PRO 304.A O no hydrogen 3.014 N/A ILE 308.A N ILE 305.A O no hydrogen 2.738 N/A THR 309.A N ILE 305.A O no hydrogen 3.106 N/A THR 309.A OG1 THR 309.A O no hydrogen 2.575 N/A ASN 315.A N ASP 599.A OD1 no hydrogen 3.096 N/A ASN 315.A ND2 GLY 335.A O no hydrogen 3.195 N/A GLN 316.A NE2 THR 582.A OG1 no hydrogen 3.137 N/A PHE 317.A N GLY 597.A O no hydrogen 2.966 N/A TYR 318.A N GLY 331.A O no hydrogen 2.776 N/A SER 319.A N GLY 331.A O no hydrogen 2.962 N/A PHE 321.A N TRP 329.A O no hydrogen 2.890 N/A ASP 323.A N PHE 327.A O no hydrogen 2.922 N/A SER 324.A N GLU 371.A OE1 no hydrogen 2.841 N/A SER 324.A OG GLU 371.A OE2 no hydrogen 2.527 N/A GLY 326.A N ASP 323.A O no hydrogen 2.823 N/A PHE 327.A N ASP 323.A OD1 no hydrogen 2.635 N/A TYR 328.A N PHE 339.A O no hydrogen 2.764 N/A TYR 328.A OH ASP 587.A OD2 no hydrogen 3.290 N/A TYR 328.A OH TYR 594.A OH no hydrogen 3.376 N/A TRP 329.A N PHE 321.A O no hydrogen 2.650 N/A TRP 329.A NE1 ASP 323.A OD2 no hydrogen 2.972 N/A PHE 330.A N ILE 337.A O no hydrogen 3.027 N/A GLY 331.A N SER 319.A O no hydrogen 2.877 N/A GLY 332.A N GLY 335.A O no hydrogen 3.310 N/A ALA 333.A N GLN 316.A O no hydrogen 3.018 N/A ASN 334.A N ASN 315.A OD1 no hydrogen 2.790 N/A ASN 334.A ND2 GLY 314.A O no hydrogen 2.934 N/A GLY 335.A N ASN 364.A O no hydrogen 2.858 N/A LEU 336.A N TYR 352.A O no hydrogen 2.936 N/A ILE 337.A N PHE 330.A O no hydrogen 3.009 N/A ARG 338.A N ILE 350.A O no hydrogen 2.799 N/A PHE 339.A N TYR 328.A O no hydrogen 3.031 N/A THR 340.A N HIS 347.A O no hydrogen 3.019 N/A HIS 347.A ND1 ASP 341.A O no hydrogen 2.374 N/A ASP 348.A N ARG 346.A O no hydrogen 2.467 N/A ILE 350.A N ARG 338.A O no hydrogen 2.602 N/A TRP 351.A NE1 ASN 334.A O no hydrogen 2.823 N/A TYR 352.A N LEU 336.A O no hydrogen 2.792 N/A TYR 352.A OH ARG 393.A O no hydrogen 2.948 N/A ARG 353.A N TYR 359.A O no hydrogen 3.174 N/A MET 354.A N ASN 364.A OD1 no hydrogen 2.860 N/A ASP 356.A N ARG 353.A O no hydrogen 3.115 N/A THR 358.A N ASP 356.A OD1 no hydrogen 3.063 N/A TYR 359.A N ASP 356.A OD1 no hydrogen 2.856 N/A SER 362.A OG GLY 383.A O no hydrogen 2.545 N/A ARG 365.A N HIS 363.A ND1 no hydrogen 3.052 N/A ILE 366.A N GLY 332.A O no hydrogen 2.800 N/A ARG 367.A N ALA 380.A O no hydrogen 2.889 N/A ARG 367.A NH1 ASP 382.A OD1 no hydrogen 3.119 N/A HIS 368.A N ALA 380.A O no hydrogen 3.345 N/A TYR 370.A N TRP 378.A O no hydrogen 2.653 N/A ASP 372.A N GLN 376.A O no hydrogen 2.821 N/A LYS 373.A N GLU 415.A OE2 no hydrogen 3.120 N/A LYS 373.A NZ GLU 415.A O no hydrogen 3.138 N/A GLU 374.A N ASP 372.A OD1 no hydrogen 2.861 N/A GLN 375.A N ASP 372.A O no hydrogen 2.984 N/A GLN 376.A N ASP 372.A OD1 no hydrogen 2.921 N/A TRP 378.A N TYR 370.A O no hydrogen 2.552 N/A TRP 378.A NE1 ASP 372.A OD2 no hydrogen 2.697 N/A ILE 379.A N ASN 386.A O no hydrogen 3.040 N/A ALA 380.A N HIS 368.A O no hydrogen 2.769 N/A THR 381.A OG1 SER 384.A O no hydrogen 2.580 N/A ASP 382.A N ARG 365.A O no hydrogen 3.242 N/A GLY 383.A N THR 381.A OG1 no hydrogen 2.955 N/A SER 384.A N ASN 408.A O no hydrogen 2.786 N/A SER 384.A OG TYR 398.A O no hydrogen 2.773 N/A SER 384.A OG THR 407.A O no hydrogen 3.331 N/A ASN 386.A N ILE 379.A O no hydrogen 2.994 N/A ARG 387.A N ILE 396.A O no hydrogen 2.755 N/A ARG 387.A NE TYR 398.A OH no hydrogen 2.767 N/A ARG 387.A NH1 GLN 376.A OE1 no hydrogen 2.710 N/A TYR 388.A N LEU 377.A O no hydrogen 2.944 N/A TYR 388.A OH TYR 352.A OH no hydrogen 2.434 N/A ASP 389.A N GLN 394.A O no hydrogen 3.174 N/A TYR 390.A OH ASP 323.A OD2 no hydrogen 2.785 N/A ALA 391.A N ASP 389.A OD1 no hydrogen 3.177 N/A THR 392.A N ASP 389.A OD1 no hydrogen 3.357 N/A THR 392.A OG1 ASP 389.A O no hydrogen 3.442 N/A ARG 393.A N ASP 389.A O no hydrogen 2.875 N/A GLN 394.A N ASP 389.A O no hydrogen 3.471 N/A GLN 394.A NE2 THR 358.A O no hydrogen 2.660 N/A ILE 396.A N ARG 387.A O no hydrogen 2.811 N/A HIS 397.A NE2 GLY 383.A O no hydrogen 2.925 N/A TYR 398.A N ILE 385.A O no hydrogen 3.076 N/A ASN 399.A N GLY 444.A O no hydrogen 3.425 N/A ASN 399.A ND2 GLY 444.A O no hydrogen 3.643 N/A VAL 401.A N TYR 446.A O no hydrogen 3.021 N/A THR 404.A N ASP 402.A O no hydrogen 2.551 N/A TYR 405.A OH HIS 455.A NE2 no hydrogen 2.725 N/A ASN 408.A N ASN 406.A OD1 no hydrogen 2.918 N/A THR 410.A N THR 381.A O no hydrogen 3.184 N/A THR 410.A OG1 THR 407.A O no hydrogen 2.713 N/A TYR 411.A N SER 424.A O no hydrogen 2.860 N/A PHE 414.A N TRP 422.A O no hydrogen 3.059 N/A GLU 415.A N TYR 370.A OH no hydrogen 2.892 N/A ASP 416.A N GLN 420.A O no hydrogen 3.012 N/A ALA 418.A N ASP 416.A OD1 no hydrogen 3.353 N/A GLN 420.A N ASP 416.A OD1 no hydrogen 2.640 N/A LEU 421.A N VAL 433.A O no hydrogen 2.774 N/A TRP 422.A N PHE 414.A O no hydrogen 2.776 N/A TRP 422.A NE1 ASP 416.A OD2 no hydrogen 2.871 N/A ILE 423.A N PHE 431.A O no hydrogen 2.776 N/A SER 424.A N TYR 412.A O no hydrogen 3.079 N/A SER 424.A OG TYR 412.A O no hydrogen 3.482 N/A SER 424.A OG ASN 464.A O no hydrogen 2.714 N/A CYS 426.A N TRP 409.A O no hydrogen 2.915 N/A CYS 426.A SG CYS 426.A O no hydrogen 2.437 N/A ILE 430.A N TYR 452.A O no hydrogen 3.057 N/A PHE 431.A N ILE 423.A O no hydrogen 2.650 N/A VAL 432.A N GLN 450.A O no hydrogen 3.102 N/A ASP 434.A N GLU 449.A OE1 no hydrogen 2.816 N/A LYS 435.A N GLY 419.A O no hydrogen 3.217 N/A LYS 435.A NZ ASP 372.A OD2 no hydrogen 2.862 N/A LYS 435.A NZ GLU 374.A OE1 no hydrogen 2.805 N/A LYS 435.A NZ GLU 415.A OE1 no hydrogen 3.401 N/A LYS 435.A NZ GLU 415.A OE2 no hydrogen 2.783 N/A HIS 436.A NE2 GLU 374.A OE1 no hydrogen 3.140 N/A LYS 437.A NZ GLU 449.A OE2 no hydrogen 2.584 N/A LEU 438.A N ASP 434.A O no hydrogen 2.872 N/A MET 439.A N LYS 435.A O no hydrogen 2.818 N/A GLN 440.A N HIS 436.A O no hydrogen 2.499 N/A SER 441.A N LEU 438.A O no hydrogen 3.132 N/A SER 443.A OG GLN 445.A O no hydrogen 2.761 N/A GLN 445.A N SER 443.A O no hydrogen 2.326 N/A TYR 446.A OH GLU 449.A OE1 no hydrogen 3.196 N/A TYR 446.A OH GLU 449.A OE2 no hydrogen 2.872 N/A ALA 448.A N VAL 401.A O no hydrogen 2.725 N/A GLN 450.A N VAL 432.A O no hydrogen 3.107 N/A ASN 451.A ND2 GLY 428.A O no hydrogen 2.642 N/A TYR 452.A N ILE 430.A O no hydrogen 2.782 N/A SER 453.A N ASN 456.A OD1 no hydrogen 3.024 N/A HIS 455.A N SER 453.A OG no hydrogen 3.065 N/A ASN 456.A N SER 453.A O no hydrogen 2.928 N/A ASN 456.A ND2 ASN 451.A O no hydrogen 3.590 N/A LEU 458.A N SER 453.A O no hydrogen 3.174 N/A SER 459.A N ASP 485.A OD2 no hydrogen 2.953 N/A SER 459.A OG ASP 485.A OD1 no hydrogen 2.824 N/A SER 459.A OG ASP 485.A OD2 no hydrogen 2.859 N/A ILE 463.A N THR 425.A O no hydrogen 3.506 N/A ASN 464.A N LEU 477.A O no hydrogen 3.124 N/A ILE 467.A N TRP 475.A O no hydrogen 3.146 N/A ASP 469.A N ASN 473.A O no hydrogen 2.606 N/A VAL 474.A N ILE 487.A O no hydrogen 2.890 N/A TRP 475.A N ILE 467.A O no hydrogen 2.985 N/A VAL 476.A N ASP 485.A O no hydrogen 2.928 N/A LEU 477.A N GLN 465.A O no hydrogen 2.932 N/A TYR 479.A N PHE 462.A O no hydrogen 3.066 N/A GLY 483.A N LEU 502.A O no hydrogen 2.917 N/A ILE 484.A N LEU 497.A O no hydrogen 2.941 N/A LYS 486.A N THR 495.A O no hydrogen 2.879 N/A LYS 486.A NZ GLU 533.A OE2 no hydrogen 2.965 N/A ILE 487.A N VAL 474.A O no hydrogen 2.862 N/A ASN 488.A N GLU 493.A O no hydrogen 2.909 N/A ARG 490.A NH2 GLU 471.A O no hydrogen 3.079 N/A THR 491.A N ASN 488.A O no hydrogen 3.344 N/A THR 491.A N ASN 488.A OD1 no hydrogen 2.940 N/A THR 491.A OG1 ASN 488.A OD1 no hydrogen 2.693 N/A THR 495.A N LYS 486.A O no hydrogen 2.760 N/A LYS 496.A NZ ASN 481.A OD1 no hydrogen 3.459 N/A LYS 496.A NZ LYS 482.A O no hydrogen 2.822 N/A LEU 497.A N ILE 484.A O no hydrogen 3.087 N/A GLU 501.A N PHE 498.A O no hydrogen 2.932 N/A LEU 502.A N PHE 498.A O no hydrogen 2.736 N/A LYS 506.A N THR 503.A O no hydrogen 2.831 N/A SER 507.A OG ASN 481.A O no hydrogen 2.859 N/A ASN 509.A N GLY 522.A O no hydrogen 3.006 N/A ASN 509.A ND2 ILE 545.A O no hydrogen 3.191 N/A TYR 510.A N GLY 522.A O no hydrogen 3.396 N/A LEU 512.A N TRP 520.A O no hydrogen 2.999 N/A CYS 513.A SG ASP 514.A O no hydrogen 3.634 N/A ASP 514.A N LEU 518.A O no hydrogen 2.915 N/A ASP 516.A N ASP 514.A OD1 no hydrogen 2.829 N/A GLY 517.A N ASP 514.A O no hydrogen 2.902 N/A LEU 518.A N ASP 514.A OD1 no hydrogen 2.978 N/A LEU 519.A N ILE 530.A O no hydrogen 3.289 N/A TRP 520.A N LEU 512.A O no hydrogen 2.803 N/A TRP 520.A NE1 ASP 514.A OD2 no hydrogen 3.218 N/A VAL 521.A N MET 528.A O no hydrogen 2.802 N/A GLY 522.A N TYR 510.A O no hydrogen 2.938 N/A PHE 523.A N GLY 526.A O no hydrogen 2.960 N/A MET 528.A N VAL 521.A O no hydrogen 2.856 N/A ARG 529.A NH2 ARG 568.A O no hydrogen 2.888 N/A ARG 529.A NH2 LYS 569.A O no hydrogen 2.811 N/A ILE 530.A N LEU 519.A O no hydrogen 2.870 N/A SER 534.A N ASN 531.A O no hydrogen 2.647 N/A GLN 536.A NE2 GLN 535.A OE1 no hydrogen 3.574 N/A ILE 538.A N VAL 527.A O no hydrogen 3.073 N/A GLY 541.A N SER 539.A OG no hydrogen 3.373 N/A GLU 544.A N THR 560.A OG1 no hydrogen 2.913 N/A LEU 546.A N SER 558.A O no hydrogen 2.786 N/A SER 547.A N SER 558.A O no hydrogen 3.430 N/A THR 549.A N TRP 556.A O no hydrogen 3.033 N/A VAL 551.A N SER 554.A O no hydrogen 2.591 N/A SER 554.A N VAL 551.A O no hydrogen 2.682 N/A ILE 555.A N ILE 566.A O no hydrogen 2.747 N/A TRP 556.A N THR 549.A O no hydrogen 2.838 N/A VAL 557.A N TRP 564.A O no hydrogen 2.771 N/A SER 558.A N SER 547.A O no hydrogen 2.623 N/A SER 558.A OG PHE 581.A O no hydrogen 2.589 N/A THR 559.A N GLY 562.A O no hydrogen 3.110 N/A THR 559.A OG1 GLU 544.A O no hydrogen 2.965 N/A THR 560.A N GLU 544.A O no hydrogen 2.820 N/A THR 560.A OG1 GLU 544.A O no hydrogen 3.126 N/A TRP 564.A N VAL 557.A O no hydrogen 2.966 N/A ILE 565.A N ARG 574.A O no hydrogen 2.820 N/A ILE 566.A N ILE 555.A O no hydrogen 2.873 N/A ASP 567.A N ASP 572.A O no hydrogen 3.105 N/A ARG 568.A N ASN 553.A O no hydrogen 2.696 N/A ARG 568.A NE LYS 552.A O no hydrogen 3.052 N/A ARG 568.A NH1 ASP 514.A OD2 no hydrogen 3.109 N/A ARG 568.A NH1 ASP 516.A OD2 no hydrogen 3.127 N/A ARG 568.A NH2 LYS 552.A O no hydrogen 2.772 N/A LYS 569.A N ASP 567.A OD1 no hydrogen 3.273 N/A THR 570.A N ASP 567.A OD1 no hydrogen 3.185 N/A THR 570.A OG1 ASP 567.A OD1 no hydrogen 3.075 N/A MET 571.A N ASP 567.A O no hydrogen 3.179 N/A ARG 574.A N ILE 565.A O no hydrogen 3.057 N/A GLN 576.A N LEU 563.A O no hydrogen 2.997 N/A THR 582.A OG1 PHE 317.A O no hydrogen 2.865 N/A THR 582.A OG1 GLY 596.A O no hydrogen 3.543 N/A LEU 585.A N TYR 594.A O no hydrogen 2.816 N/A ASP 587.A N CYS 592.A O no hydrogen 2.964 N/A ASP 591.A N PRO 588.A O no hydrogen 3.288 N/A CYS 592.A N ASP 587.A O no hydrogen 3.342 N/A CYS 592.A SG TYR 594.A OH no hydrogen 3.559 N/A VAL 593.A N SER 604.A O no hydrogen 2.945 N/A TYR 594.A N LEU 585.A O no hydrogen 2.680 N/A TYR 594.A OH TYR 328.A OH no hydrogen 3.376 N/A LEU 595.A N GLY 602.A O no hydrogen 2.829 N/A GLY 596.A N SER 583.A O no hydrogen 2.731 N/A GLY 597.A N GLY 600.A O no hydrogen 3.276 N/A ASP 599.A N ASN 315.A O no hydrogen 2.730 N/A PHE 601.A N ILE 303.A O no hydrogen 3.063 N/A GLY 602.A N LEU 595.A O no hydrogen 2.785 N/A ILE 603.A N GLN 301.A O no hydrogen 3.028 N/A SER 604.A N VAL 593.A O no hydrogen 3.138 N/A SER 606.A OG ASP 591.A OD1 no hydrogen 2.902 N/A SER 606.A OG ASP 591.A OD2 no hydrogen 3.430 N/A GLN 610.A NE2 ASN 668.A OD1 no hydrogen 2.986 N/A ARG 613.A NE PRO 611.A O no hydrogen 3.114 N/A LEU 616.A N SER 658.A O no hydrogen 2.798 N/A THR 618.A N GLU 656.A O no hydrogen 2.792 N/A THR 618.A OG1 ASP 39.A OD2 no hydrogen 2.880 N/A TYR 621.A N SER 654.A O no hydrogen 2.829 N/A TYR 621.A OH GLU 656.A OE2 no hydrogen 3.332 N/A ILE 622.A N GLN 625.A O no hydrogen 2.993 N/A ASN 623.A N ASN 652.A O no hydrogen 2.744 N/A ASN 623.A ND2 ASP 649.A O no hydrogen 3.685 N/A GLN 625.A N ILE 622.A O no hydrogen 2.982 N/A VAL 627.A N LEU 620.A O no hydrogen 3.027 N/A SER 628.A OG ASP 84.A OD2 no hydrogen 3.030 N/A ARG 630.A N ASP 84.A OD2 no hydrogen 2.942 N/A ARG 630.A NH1 THR 48.A OG1 no hydrogen 2.623 N/A THR 631.A N SER 628.A O no hydrogen 3.038 N/A THR 631.A OG1 SER 628.A O no hydrogen 3.475 N/A ARG 632.A N SER 628.A O no hydrogen 2.790 N/A ARG 632.A NE ASP 634.A OD1 no hydrogen 3.083 N/A ARG 632.A NH2 ASP 634.A OD2 no hydrogen 3.139 N/A ASN 637.A ND2 ARG 82.A O no hydrogen 2.904 N/A ARG 639.A N ASN 637.A OD1 no hydrogen 3.172 N/A ARG 639.A NH1 ASP 22.A OD2 no hydrogen 2.651 N/A ARG 639.A NH2 ASP 22.A OD1 no hydrogen 2.882 N/A ARG 639.A NH2 ASP 22.A OD2 no hydrogen 3.155 N/A TYR 640.A N ASN 637.A O no hydrogen 3.046 N/A TYR 640.A OH GLU 24.A OE2 no hydrogen 2.544 N/A THR 641.A OG1 ASN 637.A O no hydrogen 2.575 N/A ILE 644.A N ASN 722.A O no hydrogen 2.784 N/A LEU 646.A N ARG 724.A O no hydrogen 2.686 N/A LYS 647.A N GLN 650.A OE1 no hydrogen 2.871 N/A LYS 647.A NZ ASP 634.A OD2 no hydrogen 3.425 N/A GLN 650.A N LYS 647.A O no hydrogen 2.922 N/A GLN 650.A NE2 ASP 634.A OD2 no hydrogen 3.007 N/A ASN 651.A N ASN 651.A OD1 no hydrogen 2.592 N/A ASN 651.A ND2 ASN 695.A OD1 no hydrogen 3.581 N/A ASN 651.A ND2 LEU 696.A O no hydrogen 3.177 N/A ASN 652.A ND2 ASN 623.A OD1 no hydrogen 3.043 N/A LEU 653.A N TYR 693.A O no hydrogen 2.915 N/A SER 654.A N TYR 621.A O no hydrogen 2.903 N/A SER 654.A OG THR 692.A OG1 no hydrogen 3.237 N/A PHE 655.A N ILE 691.A O no hydrogen 2.656 N/A GLU 656.A N ALA 619.A O no hydrogen 3.048 N/A LEU 657.A N ASN 689.A O no hydrogen 3.078 N/A SER 658.A N LEU 616.A O no hydrogen 2.898 N/A SER 658.A OG ASP 39.A O no hydrogen 2.614 N/A LEU 660.A N SER 658.A OG no hydrogen 2.714 N/A TYR 662.A OH TYR 38.A O no hydrogen 2.601 N/A LEU 664.A N PRO 661.A O no hydrogen 3.186 N/A LYS 667.A NZ GLY 40.A O no hydrogen 3.560 N/A ASN 668.A ND2 GLN 610.A OE1 no hydrogen 2.907 N/A ASN 668.A ND2 ASP 659.A OD2 no hydrogen 2.787 N/A VAL 671.A N SER 706.A O no hydrogen 2.723 N/A TYR 672.A N ASN 682.A O no hydrogen 2.906 N/A ARG 673.A N ILE 704.A O no hydrogen 3.037 N/A LEU 674.A N ASP 678.A OD2 no hydrogen 2.766 N/A GLU 675.A N GLN 702.A O no hydrogen 2.637 N/A MET 677.A N LEU 674.A O no hydrogen 3.070 N/A ASP 678.A N LEU 674.A O no hydrogen 2.778 N/A ASN 682.A N TYR 672.A O no hydrogen 2.801 N/A LEU 684.A N PHE 670.A O no hydrogen 3.225 N/A ILE 688.A N LYS 685.A O no hydrogen 2.770 N/A ASN 689.A ND2 LEU 657.A O no hydrogen 3.060 N/A ARG 690.A NE GLU 656.A OE2 no hydrogen 3.386 N/A ARG 690.A NH2 GLU 656.A OE2 no hydrogen 2.972 N/A ILE 691.A N PHE 655.A O no hydrogen 2.843 N/A THR 692.A OG1 LEU 653.A O no hydrogen 3.550 N/A THR 692.A OG1 SER 654.A OG no hydrogen 3.237 N/A TYR 693.A N LEU 653.A O no hydrogen 2.880 N/A TYR 693.A OH ASP 678.A OD2 no hydrogen 2.616 N/A ASN 695.A N ASN 652.A OD1 no hydrogen 2.717 N/A LEU 696.A N ASN 651.A O no hydrogen 3.092 N/A GLY 699.A N ILE 725.A O no hydrogen 3.084 N/A TYR 701.A N ILE 723.A O no hydrogen 2.674 N/A TYR 701.A OH SER 697.A O no hydrogen 2.796 N/A GLN 702.A N GLU 675.A O no hydrogen 2.992 N/A GLN 702.A NE2 ASN 722.A OD1 no hydrogen 3.138 N/A LEU 703.A N LEU 721.A O no hydrogen 2.800 N/A ILE 704.A N ARG 673.A O no hydrogen 2.919 N/A ILE 705.A N HIS 719.A O no hydrogen 2.982 N/A SER 706.A N VAL 671.A O no hydrogen 2.814 N/A SER 706.A OG SER 715.A O no hydrogen 3.196 N/A LEU 708.A N LYS 669.A O no hydrogen 2.874 N/A GLU 709.A N GLN 713.A O no hydrogen 2.720 N/A GLY 712.A N GLU 709.A O no hydrogen 2.695 N/A GLN 713.A N ASP 711.A OD2 no hydrogen 2.955 N/A SER 715.A N LYS 707.A O no hydrogen 2.986 N/A ARG 717.A N SER 715.A OG no hydrogen 2.898 N/A ARG 717.A NH1 ASP 341.A OD2 no hydrogen 3.350 N/A HIS 719.A N ILE 705.A O no hydrogen 2.831 N/A LEU 721.A N LEU 703.A O no hydrogen 2.755 N/A ASN 722.A N ASN 642.A O no hydrogen 2.760 N/A ASN 722.A ND2 ASN 642.A O no hydrogen 3.464 N/A ILE 723.A N TYR 701.A O no hydrogen 2.974 N/A ARG 724.A N ILE 644.A O no hydrogen 2.892 N/A ILE 725.A N GLY 699.A O no hydrogen 2.990 N/A LEU 726.A N LEU 646.A O no hydrogen 2.939 N/A LEU 730.A N PRO 727.A O no hydrogen 2.996 N/A HIS 733.A N LEU 730.A O no hydrogen 2.937 N/A HIS 734.A N GLU 731.A O no hydrogen 2.995 N/A HIS 734.A ND1 GLU 731.A O no hydrogen 3.012 N/A HIS 737.A N ASP 633.A O no hydrogen 2.947 N/A