Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ps9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 7.A N ASP 4.A O no hydrogen 2.735 N/A MET 9.A N ASP 6.A O no hydrogen 2.928 N/A LYS 10.A N ASP 7.A O no hydrogen 3.394 N/A LYS 10.A NZ ASP 7.A OD1 no hydrogen 3.057 N/A TYR 12.A N ASP 376.A OD2 no hydrogen 3.068 N/A SER 13.A OG ILE 14.A O no hydrogen 3.374 N/A ILE 14.A N PRO 139.A O no hydrogen 2.945 N/A ALA 17.A N PRO 109.A O no hydrogen 3.109 N/A GLU 20.A N VAL 25.A O no hydrogen 3.160 N/A THR 23.A OG1 ASN 36.A OD1 no hydrogen 3.348 N/A VAL 25.A N GLU 20.A O no hydrogen 2.703 N/A SER 26.A N ASP 31.A O no hydrogen 2.956 N/A ARG 27.A N ASN 18.A O no hydrogen 3.123 N/A PHE 29.A N SER 26.A OG no hydrogen 3.205 N/A VAL 32.A N ASP 31.A OD1 no hydrogen 2.876 N/A TYR 33.A N PRO 24.A O no hydrogen 2.832 N/A GLU 42.A N ASN 38.A O no hydrogen 2.890 N/A THR 43.A N GLY 39.A O no hydrogen 3.105 N/A THR 43.A OG1 GLY 39.A O no hydrogen 2.468 N/A ARG 44.A N LEU 40.A O no hydrogen 3.208 N/A ARG 44.A NH2 GLN 83.A OE1 no hydrogen 2.350 N/A ARG 44.A NH2 GLU 124.A OE2 no hydrogen 2.844 N/A TYR 45.A N GLU 41.A O no hydrogen 2.943 N/A TYR 45.A OH LYS 236.A O no hydrogen 2.704 N/A VAL 46.A N GLU 42.A O no hydrogen 2.765 N/A PHE 47.A N THR 43.A O no hydrogen 2.990 N/A GLY 49.A N ARG 44.A O no hydrogen 2.893 N/A GLY 50.A N VAL 46.A O no hydrogen 3.156 N/A ASN 51.A N LEU 48.A O no hydrogen 3.255 N/A ASN 51.A ND2 PHE 47.A O no hydrogen 2.760 N/A ASN 51.A ND2 TRP 180.A O no hydrogen 3.044 N/A GLN 52.A N GLY 49.A O no hydrogen 3.009 N/A LEU 53.A N LEU 48.A O no hydrogen 3.041 N/A ARG 56.A N GLN 52.A O no hydrogen 3.280 N/A ARG 56.A N LEU 53.A O no hydrogen 3.260 N/A ARG 56.A NH1 ASN 51.A O no hydrogen 3.034 N/A ARG 56.A NH1 ASP 178.A O no hydrogen 3.548 N/A ARG 56.A NH2 ASP 178.A O no hydrogen 3.086 N/A PHE 57.A N LEU 53.A O no hydrogen 2.904 N/A GLU 59.A N ARG 56.A O no hydrogen 3.125 N/A HIS 60.A N PHE 57.A O no hydrogen 3.292 N/A HIS 60.A NE2 LEU 64.A O no hydrogen 2.959 N/A HIS 62.A ND1 LEU 64.A O no hydrogen 3.210 N/A LEU 64.A N HIS 62.A ND1 no hydrogen 3.213 N/A PHE 65.A N ARG 99.A O no hydrogen 3.068 N/A VAL 66.A N ASP 178.A OD2 no hydrogen 2.892 N/A VAL 67.A N HIS 101.A O no hydrogen 2.938 N/A ALA 68.A N ALA 179.A O no hydrogen 2.903 N/A GLU 69.A N ILE 103.A O no hydrogen 2.691 N/A SER 70.A N PHE 181.A O no hydrogen 3.111 N/A SER 70.A OG ASP 183.A O no hydrogen 2.782 N/A GLY 71.A N PHE 105.A O no hydrogen 2.992 N/A GLY 73.A N GLU 106.A OE1 no hydrogen 2.745 N/A GLY 75.A N PHE 72.A O no hydrogen 2.956 N/A ASN 77.A ND2 GLU 69.A OE2 no hydrogen 2.831 N/A ASN 77.A ND2 ASP 183.A OD2 no hydrogen 2.966 N/A LEU 79.A N GLY 75.A O no hydrogen 2.760 N/A THR 80.A N LEU 76.A O no hydrogen 2.995 N/A THR 80.A OG1 LEU 76.A O no hydrogen 2.584 N/A LEU 81.A N ASN 77.A O no hydrogen 2.968 N/A TRP 82.A N PHE 78.A O no hydrogen 2.975 N/A GLN 83.A N LEU 79.A O no hydrogen 2.986 N/A GLN 83.A NE2 GLU 124.A OE2 no hydrogen 2.743 N/A ALA 84.A N THR 80.A O no hydrogen 3.139 N/A PHE 85.A N LEU 81.A O no hydrogen 2.744 N/A ASP 86.A N TRP 82.A O no hydrogen 2.818 N/A GLN 87.A N GLN 83.A O no hydrogen 3.143 N/A PHE 88.A N ALA 84.A O no hydrogen 2.846 N/A ARG 89.A N PHE 85.A O no hydrogen 2.947 N/A ARG 89.A NH1 PRO 93.A O no hydrogen 3.527 N/A ARG 89.A NH1 ALA 95.A O no hydrogen 3.531 N/A ARG 89.A NH1 LEU 97.A O no hydrogen 2.800 N/A ARG 89.A NH2 PRO 93.A O no hydrogen 3.000 N/A GLU 90.A N ASP 86.A O no hydrogen 3.249 N/A ALA 91.A N GLN 87.A O no hydrogen 3.071 N/A HIS 92.A N PHE 88.A O no hydrogen 2.823 N/A ALA 95.A N HIS 92.A O no hydrogen 3.092 N/A GLN 98.A N PRO 63.A O no hydrogen 2.960 N/A GLN 98.A NE2 GLN 96.A O no hydrogen 2.951 N/A ARG 99.A N PRO 63.A O no hydrogen 2.924 N/A ARG 99.A NH1 GLU 642.A OE1 no hydrogen 3.195 N/A ARG 99.A NH2 GLU 642.A OE2 no hydrogen 2.897 N/A LEU 100.A N ARG 152.A O no hydrogen 2.889 N/A HIS 101.A N PHE 65.A O no hydrogen 2.843 N/A HIS 101.A NE2 ASP 156.A OD2 no hydrogen 2.892 N/A PHE 102.A N THR 154.A O no hydrogen 2.899 N/A ILE 103.A N VAL 67.A O no hydrogen 2.939 N/A SER 104.A N ASP 156.A O no hydrogen 2.957 N/A SER 104.A OG GLU 69.A O no hydrogen 3.563 N/A SER 104.A OG GLU 69.A OE1 no hydrogen 2.761 N/A PHE 105.A N GLU 69.A O no hydrogen 3.171 N/A GLU 106.A N TRP 158.A O no hydrogen 2.963 N/A LYS 107.A NZ ASP 161.A OD2 no hydrogen 2.921 N/A PHE 108.A N GLU 106.A OE2 no hydrogen 2.790 N/A ARG 112.A NE TRP 136.A O no hydrogen 3.293 N/A ARG 112.A NH1 GLU 380.A OE1 no hydrogen 3.318 N/A ARG 112.A NH2 GLU 380.A OE1 no hydrogen 2.872 N/A ASP 114.A N THR 111.A OG1 no hydrogen 3.045 N/A LEU 115.A N THR 111.A O no hydrogen 2.956 N/A ALA 116.A N ARG 112.A O no hydrogen 3.078 N/A LEU 117.A N ALA 113.A O no hydrogen 3.048 N/A ALA 118.A N ASP 114.A O no hydrogen 2.807 N/A HIS 119.A N LEU 115.A O no hydrogen 3.071 N/A HIS 119.A ND1 GLN 133.A OE1 no hydrogen 2.817 N/A HIS 119.A NE2 THR 74.A O no hydrogen 2.985 N/A GLN 120.A N ALA 116.A O no hydrogen 3.328 N/A GLN 120.A N LEU 117.A O no hydrogen 3.259 N/A HIS 121.A N ALA 118.A O no hydrogen 3.326 N/A TRP 122.A N HIS 119.A O no hydrogen 2.954 N/A LEU 125.A N TRP 122.A O no hydrogen 2.866 N/A ALA 126.A N PRO 123.A O no hydrogen 3.136 N/A TRP 128.A N LEU 125.A O no hydrogen 2.933 N/A TRP 128.A NE1 ASP 86.A OD2 no hydrogen 3.007 N/A ALA 129.A N LEU 125.A O no hydrogen 2.847 N/A GLU 130.A N ALA 126.A O no hydrogen 3.135 N/A GLN 131.A NE2 PRO 127.A O no hydrogen 2.996 N/A LEU 132.A N TRP 128.A O no hydrogen 3.132 N/A GLN 133.A N ALA 129.A O no hydrogen 2.959 N/A ALA 134.A N GLU 130.A O no hydrogen 3.080 N/A GLN 135.A N LEU 132.A O no hydrogen 3.135 N/A GLN 135.A NE2 LEU 147.A O no hydrogen 2.876 N/A TRP 136.A N GLN 133.A O no hydrogen 3.436 N/A TRP 136.A NE1 LEU 110.A O no hydrogen 2.929 N/A LEU 140.A N MET 138.A O no hydrogen 2.767 N/A GLY 142.A N PHE 159.A O no hydrogen 3.142 N/A HIS 144.A N LEU 157.A O no hydrogen 2.744 N/A HIS 144.A NE2 LEU 140.A O no hydrogen 2.597 N/A ARG 145.A NE ASP 156.A OD1 no hydrogen 2.749 N/A ARG 145.A NH1 GLU 633.A OE1 no hydrogen 2.982 N/A ARG 145.A NH2 ASP 156.A OD1 no hydrogen 3.392 N/A ARG 145.A NH2 ASP 156.A OD2 no hydrogen 2.852 N/A ARG 145.A NH2 PRO 643.A O no hydrogen 2.808 N/A LEU 146.A N LEU 155.A O no hydrogen 2.897 N/A LEU 148.A N VAL 153.A O no hydrogen 2.736 N/A GLY 151.A N LEU 148.A O no hydrogen 3.091 N/A ARG 152.A N ASP 149.A O no hydrogen 3.210 N/A VAL 153.A N LEU 148.A O no hydrogen 3.147 N/A THR 154.A N LEU 100.A O no hydrogen 2.984 N/A LEU 155.A N LEU 146.A O no hydrogen 3.044 N/A ASP 156.A N PHE 102.A O no hydrogen 2.900 N/A LEU 157.A N HIS 144.A O no hydrogen 2.877 N/A TRP 158.A N SER 104.A O no hydrogen 2.875 N/A PHE 159.A N GLY 142.A O no hydrogen 2.922 N/A GLY 160.A N GLU 106.A O no hydrogen 2.796 N/A ASN 163.A N ASP 161.A OD1 no hydrogen 2.843 N/A ASN 163.A ND2 ASN 197.A OD1 no hydrogen 3.647 N/A GLU 164.A N ASP 161.A O no hydrogen 3.165 N/A LEU 165.A N ASP 161.A O no hydrogen 3.013 N/A THR 166.A N ILE 162.A O no hydrogen 3.016 N/A THR 166.A OG1 ILE 162.A O no hydrogen 3.365 N/A THR 166.A OG1 ASN 197.A OD1 no hydrogen 3.423 N/A SER 167.A OG GLU 164.A O no hydrogen 3.296 N/A GLN 168.A N LEU 165.A O no hydrogen 2.874 N/A SER 172.A N ASP 170.A OD2 no hydrogen 3.214 N/A SER 172.A OG ASP 170.A OD2 no hydrogen 2.788 N/A LEU 173.A N ASP 170.A O no hydrogen 3.089 N/A ASN 174.A N ASP 171.A O no hydrogen 3.065 N/A GLN 175.A N ARG 204.A O no hydrogen 3.015 N/A GLN 175.A NE2 LEU 253.A O no hydrogen 2.772 N/A LYS 176.A N LEU 205.A O no hydrogen 2.886 N/A LYS 176.A NZ ASP 641.A O no hydrogen 2.652 N/A VAL 177.A N LEU 205.A O no hydrogen 2.753 N/A ASP 178.A N VAL 66.A O no hydrogen 2.816 N/A ALA 179.A N VAL 66.A O no hydrogen 3.186 N/A TRP 180.A N THR 211.A O no hydrogen 2.934 N/A PHE 181.A N ALA 68.A O no hydrogen 2.811 N/A LEU 182.A N ALA 213.A O no hydrogen 3.066 N/A LYS 189.A N ALA 186.A O no hydrogen 3.030 N/A ASN 190.A N PRO 187.A O no hydrogen 3.091 N/A MET 193.A N ASN 190.A O no hydrogen 3.290 N/A TRP 194.A N PRO 191.A O no hydrogen 2.870 N/A TRP 194.A NE1 PHE 185.A O no hydrogen 2.793 N/A THR 195.A N MET 193.A O no hydrogen 3.067 N/A GLN 196.A NE2 GLY 224.A O no hydrogen 3.654 N/A LEU 198.A N THR 195.A OG1 no hydrogen 3.008 N/A PHE 199.A N THR 195.A O no hydrogen 3.111 N/A ASN 200.A N GLN 196.A O no hydrogen 2.839 N/A ASN 200.A ND2 GLN 196.A OE1 no hydrogen 3.084 N/A ALA 201.A N ASN 197.A O no hydrogen 3.030 N/A MET 202.A N LEU 198.A O no hydrogen 2.962 N/A ALA 203.A N PHE 199.A O no hydrogen 3.038 N/A ARG 204.A N ASN 200.A O no hydrogen 2.974 N/A ARG 204.A N ALA 201.A O no hydrogen 3.057 N/A ARG 204.A NE ASN 174.A OD1 no hydrogen 3.311 N/A ARG 204.A NH2 THR 166.A O no hydrogen 3.002 N/A LEU 205.A N ALA 201.A O no hydrogen 3.076 N/A ALA 206.A N MET 202.A O no hydrogen 3.008 N/A ARG 207.A N VAL 177.A O no hydrogen 2.778 N/A GLY 209.A N MET 249.A O no hydrogen 2.592 N/A GLY 210.A N ARG 207.A O no hydrogen 2.732 N/A THR 211.A N ASP 178.A O no hydrogen 2.930 N/A THR 211.A OG1 ASN 51.A OD1 no hydrogen 2.840 N/A THR 211.A OG1 ASP 178.A O no hydrogen 3.408 N/A LEU 212.A N GLY 247.A O no hydrogen 3.000 N/A ALA 213.A N TRP 180.A O no hydrogen 3.059 N/A THR 214.A N LEU 245.A O no hydrogen 2.990 N/A THR 214.A OG1 LEU 182.A O no hydrogen 2.570 N/A SER 217.A OG GLU 243.A O no hydrogen 3.342 N/A ALA 218.A N THR 216.A OG1 no hydrogen 2.975 N/A VAL 221.A N ALA 218.A O no hydrogen 3.155 N/A ARG 222.A N ALA 218.A O no hydrogen 3.166 N/A ARG 223.A N GLY 219.A O no hydrogen 2.990 N/A GLY 224.A N PHE 220.A O no hydrogen 2.862 N/A LEU 225.A N VAL 221.A O no hydrogen 3.110 N/A GLN 226.A N ARG 222.A O no hydrogen 3.067 N/A ASP 227.A N ARG 223.A O no hydrogen 2.927 N/A ALA 228.A N GLY 224.A O no hydrogen 2.929 N/A GLY 229.A N LEU 225.A O no hydrogen 3.134 N/A GLY 229.A N GLN 226.A O no hydrogen 2.910 N/A PHE 230.A N LEU 225.A O no hydrogen 2.994 N/A THR 231.A N VAL 248.A O no hydrogen 2.784 N/A THR 231.A OG1 GLU 250.A OE1 no hydrogen 3.322 N/A GLN 233.A N CYS 246.A O no hydrogen 2.846 N/A ARG 235.A N MET 244.A O no hydrogen 2.994 N/A ARG 235.A NH2 TYR 45.A O no hydrogen 2.598 N/A GLY 237.A N ARG 242.A O no hydrogen 3.083 N/A LYS 241.A NZ PHE 215.A O no hydrogen 3.187 N/A LYS 241.A NZ GLU 243.A O no hydrogen 3.290 N/A MET 244.A N ARG 235.A O no hydrogen 2.749 N/A LEU 245.A N THR 214.A O no hydrogen 3.324 N/A CYS 246.A N GLN 233.A O no hydrogen 2.974 N/A GLY 247.A N LEU 212.A O no hydrogen 3.002 N/A VAL 248.A N THR 231.A O no hydrogen 3.000 N/A MET 249.A N GLY 210.A O no hydrogen 2.829 N/A GLN 251.A NE2 GLY 229.A O no hydrogen 3.006 N/A CYS 257.A SG ASN 263.A OD1 no hydrogen 3.552 N/A PHE 262.A N ALA 259.A O no hydrogen 2.962 N/A ASN 263.A N PRO 260.A O no hydrogen 3.056 N/A ASN 263.A ND2 SER 607.A OG no hydrogen 2.526 N/A ARG 264.A NE GLN 638.A OE1 no hydrogen 3.033 N/A ARG 264.A NH2 VAL 582.A O no hydrogen 2.390 N/A THR 265.A N ASN 584.A OD1 no hydrogen 3.146 N/A SER 267.A N MET 639.A O no hydrogen 3.127 N/A SER 267.A OG ASP 613.A OD1 no hydrogen 2.688 N/A LYS 269.A N SER 267.A OG no hydrogen 3.382 N/A LYS 269.A NZ ASP 613.A OD2 no hydrogen 3.443 N/A ARG 270.A NE LYS 269.A O no hydrogen 2.814 N/A ARG 270.A NH2 LYS 269.A O no hydrogen 3.468 N/A ALA 272.A N GLN 294.A O no hydrogen 2.771 N/A ALA 273.A N VAL 461.A O no hydrogen 2.713 N/A ILE 274.A N THR 296.A O no hydrogen 2.630 N/A ILE 275.A N VAL 463.A O no hydrogen 2.889 N/A GLY 276.A N TYR 298.A O no hydrogen 2.886 N/A GLY 277.A N SER 281.A OG no hydrogen 2.879 N/A ILE 279.A N SER 309.A OG no hydrogen 3.016 N/A SER 281.A OG GLY 278.A O no hydrogen 2.733 N/A ALA 282.A N GLY 278.A O no hydrogen 3.076 N/A LEU 283.A N ILE 279.A O no hydrogen 2.891 N/A LEU 284.A N ALA 280.A O no hydrogen 2.984 N/A SER 285.A N SER 281.A O no hydrogen 3.179 N/A SER 285.A OG SER 281.A O no hydrogen 2.735 N/A ALA 287.A N LEU 283.A O no hydrogen 3.185 N/A LEU 288.A N LEU 284.A O no hydrogen 2.913 N/A LEU 288.A N SER 285.A O no hydrogen 3.093 N/A LEU 289.A N SER 285.A O no hydrogen 2.766 N/A ARG 290.A N LEU 286.A O no hydrogen 3.035 N/A ARG 290.A NH1 GLU 633.A OE2 no hydrogen 2.553 N/A ARG 290.A NH2 GLU 633.A OE1 no hydrogen 2.580 N/A ARG 290.A NH2 GLU 633.A OE2 no hydrogen 3.191 N/A ARG 291.A N LEU 288.A O no hydrogen 3.226 N/A ARG 291.A NE GLU 642.A OE1 no hydrogen 2.855 N/A ARG 291.A NH1 ALA 287.A O no hydrogen 2.960 N/A ARG 291.A NH2 GLU 642.A OE1 no hydrogen 2.982 N/A GLY 292.A N LEU 289.A O no hydrogen 2.938 N/A TRP 293.A N LEU 288.A O no hydrogen 3.153 N/A TRP 293.A NE1 SER 640.A OG no hydrogen 3.108 N/A GLN 294.A N ARG 270.A O no hydrogen 2.901 N/A THR 296.A N ALA 272.A O no hydrogen 2.864 N/A LEU 297.A N GLN 430.A O no hydrogen 2.671 N/A TYR 298.A N ILE 274.A O no hydrogen 2.733 N/A TYR 298.A OH HIS 459.A NE2 no hydrogen 2.841 N/A CYS 299.A N TYR 432.A O no hydrogen 2.951 N/A CYS 299.A SG GLY 276.A O no hydrogen 3.345 N/A CYS 299.A SG ALA 303.A O no hydrogen 3.885 N/A ALA 305.A N GLY 277.A O no hydrogen 2.890 N/A GLN 313.A NE2 HIS 519.A O no hydrogen 3.154 N/A GLY 314.A N LEU 411.A O no hydrogen 2.887 N/A LEU 316.A N GLY 409.A O no hydrogen 2.735 N/A SER 321.A N ASN 328.A OD1 no hydrogen 2.866 N/A LYS 322.A NZ ASP 7.A OD2 no hydrogen 3.509 N/A LYS 322.A NZ SER 374.A OG no hydrogen 2.997 N/A HIS 323.A N SER 321.A OG no hydrogen 3.186 N/A ASP 324.A N SER 321.A OG no hydrogen 2.959 N/A LEU 327.A N ASP 324.A OD1 no hydrogen 3.272 N/A ASN 328.A N ASP 324.A O no hydrogen 2.929 N/A ARG 329.A N GLU 325.A O no hydrogen 3.069 N/A ARG 329.A NH1.B ASN 333.A OD1 no hydrogen 2.949 N/A PHE 330.A N ALA 326.A O no hydrogen 2.994 N/A PHE 331.A N LEU 327.A O no hydrogen 3.030 N/A SER 332.A N ASN 328.A O no hydrogen 3.056 N/A SER 332.A OG ASN 328.A O no hydrogen 2.562 N/A ASN 333.A N ARG 329.A O no hydrogen 3.169 N/A ASN 333.A ND2 PRO 141.A O no hydrogen 3.182 N/A ASN 333.A ND2 CYS 143.A O no hydrogen 3.001 N/A ALA 334.A N PHE 330.A O no hydrogen 2.759 N/A PHE 335.A N PHE 331.A O no hydrogen 2.789 N/A THR 336.A N SER 332.A O no hydrogen 3.319 N/A THR 336.A OG1 ASN 333.A O no hydrogen 3.522 N/A PHE 337.A N ASN 333.A O no hydrogen 3.055 N/A ALA 338.A N ALA 334.A O no hydrogen 2.559 N/A ARG 339.A N PHE 335.A O no hydrogen 2.998 N/A ARG 339.A NH1 GLN 407.A O no hydrogen 2.777 N/A ARG 339.A NH1 GLN 407.A OE1 no hydrogen 3.265 N/A ARG 339.A NH2 ASP 343.A OD2 no hydrogen 2.931 N/A ARG 340.A N THR 336.A O no hydrogen 3.182 N/A ARG 340.A NE ARG 145.A O no hydrogen 3.353 N/A ARG 340.A NH2 ARG 145.A O no hydrogen 3.031 N/A PHE 341.A N PHE 337.A O no hydrogen 2.859 N/A TYR 342.A N ALA 338.A O no hydrogen 2.827 N/A TYR 342.A OH LEU 625.A O no hydrogen 2.676 N/A ASP 343.A N ARG 339.A O no hydrogen 2.902 N/A GLN 344.A N ARG 340.A O no hydrogen 3.024 N/A GLN 344.A N PHE 341.A O no hydrogen 3.112 N/A VAL 347.A N LEU 345.A O no hydrogen 2.862 N/A ASP 350.A N GLU 415.A OE2 no hydrogen 2.914 N/A HIS 351.A ND1 PHE 349.A O no hydrogen 2.727 N/A ASP 352.A N TRP 410.A O no hydrogen 2.910 N/A TRP 353.A NE1 ASP 343.A OD1 no hydrogen 2.903 N/A CYS 354.A SG ASP 352.A O no hydrogen 3.846 N/A CYS 354.A SG GLY 355.A O no hydrogen 3.441 N/A GLY 355.A N GLY 408.A O no hydrogen 2.789 N/A VAL 356.A N TYR 405.A O no hydrogen 3.197 N/A THR 357.A N VAL 503.A O no hydrogen 2.778 N/A THR 357.A OG1 THR 404.A OG1 no hydrogen 3.042 N/A GLN 358.A N ILE 403.A O no hydrogen 2.803 N/A LEU 359.A N CYS 505.A O no hydrogen 3.049 N/A GLY 360.A N SER 401.A O no hydrogen 2.787 N/A TRP 361.A N LEU 359.A O no hydrogen 3.108 N/A ASP 362.A N SER 365.A OG no hydrogen 2.973 N/A SER 365.A OG ASP 362.A O no hydrogen 3.529 N/A GLN 366.A N ASP 362.A O no hydrogen 3.157 N/A HIS 367.A N GLU 363.A O no hydrogen 3.237 N/A LYS 368.A N LYS 364.A O no hydrogen 3.328 N/A ILE 369.A N SER 365.A O no hydrogen 3.070 N/A ALA 370.A N GLN 366.A O no hydrogen 2.892 N/A GLN 371.A N HIS 367.A O no hydrogen 3.027 N/A GLN 371.A NE2 HIS 323.A NE2 no hydrogen 3.371 N/A MET 372.A N LYS 368.A O no hydrogen 3.288 N/A LEU 373.A N ILE 369.A O no hydrogen 2.694 N/A SER 374.A N ALA 370.A O no hydrogen 3.034 N/A SER 374.A OG GLN 371.A O no hydrogen 2.775 N/A MET 375.A N MET 372.A O no hydrogen 3.297 N/A LEU 377.A N MET 375.A O no hydrogen 3.009 N/A LEU 381.A N PRO 378.A O no hydrogen 2.821 N/A ALA 382.A N PRO 378.A O no hydrogen 3.372 N/A VAL 383.A N THR 404.A O no hydrogen 2.882 N/A VAL 385.A N GLY 402.A O no hydrogen 2.877 N/A ALA 389.A N GLU 386.A O no hydrogen 3.158 N/A VAL 390.A N GLU 386.A O no hydrogen 3.107 N/A VAL 390.A N ALA 387.A O no hydrogen 3.309 N/A ILE 393.A N ALA 389.A O no hydrogen 2.861 N/A THR 394.A N VAL 390.A O no hydrogen 2.659 N/A THR 394.A OG1 VAL 390.A O no hydrogen 2.776 N/A GLY 395.A N GLU 391.A O no hydrogen 2.875 N/A VAL 396.A N THR 394.A OG1 no hydrogen 3.277 N/A THR 398.A OG1 CYS 400.A O no hydrogen 3.358 N/A CYS 400.A SG THR 398.A O no hydrogen 3.685 N/A CYS 400.A SG SER 401.A O no hydrogen 3.877 N/A GLY 402.A N VAL 385.A O no hydrogen 2.975 N/A ILE 403.A N GLN 358.A O no hydrogen 3.008 N/A THR 404.A N VAL 383.A O no hydrogen 2.798 N/A THR 404.A OG1 VAL 356.A O no hydrogen 3.197 N/A THR 404.A OG1 THR 357.A OG1 no hydrogen 3.042 N/A TYR 405.A N VAL 356.A O no hydrogen 2.786 N/A GLY 408.A N TYR 405.A O no hydrogen 3.044 N/A GLY 409.A N LEU 316.A O no hydrogen 3.174 N/A TRP 410.A N ASP 352.A O no hydrogen 3.091 N/A LEU 411.A N GLY 314.A O no hydrogen 3.099 N/A CYS 412.A N ASP 350.A O no hydrogen 2.736 N/A CYS 412.A SG ARG 312.A O no hydrogen 3.210 N/A ALA 414.A N ASN 311.A O no hydrogen 3.428 N/A LEU 416.A N CYS 412.A O no hydrogen 2.978 N/A THR 417.A N PRO 413.A O no hydrogen 2.978 N/A THR 417.A OG1 PRO 413.A O no hydrogen 2.751 N/A ARG 418.A N ALA 414.A O no hydrogen 2.975 N/A ASN 419.A N GLU 415.A O no hydrogen 2.734 N/A ASN 419.A ND2 LYS 348.A O no hydrogen 2.541 N/A VAL 420.A N LEU 416.A O no hydrogen 2.952 N/A LEU 421.A N THR 417.A O no hydrogen 3.002 N/A GLU 422.A N ARG 418.A O no hydrogen 2.916 N/A LEU 423.A N ASN 419.A O no hydrogen 2.959 N/A ALA 424.A N VAL 420.A O no hydrogen 2.849 N/A GLN 425.A N LEU 421.A O no hydrogen 2.942 N/A GLN 426.A N GLU 422.A O no hydrogen 3.232 N/A GLN 426.A NE2 GLU 422.A O no hydrogen 3.655 N/A GLN 427.A N LEU 423.A O no hydrogen 3.079 N/A GLN 427.A N ALA 424.A O no hydrogen 3.071 N/A GLY 428.A N GLN 425.A O no hydrogen 3.079 N/A LEU 429.A N ALA 424.A O no hydrogen 2.850 N/A GLN 430.A N VAL 295.A O no hydrogen 3.151 N/A GLN 430.A NE2 GLY 428.A O no hydrogen 3.018 N/A TYR 432.A N LEU 297.A O no hydrogen 2.837 N/A GLN 434.A N ASP 301.A O no hydrogen 2.860 N/A TYR 435.A N CYS 299.A O no hydrogen 2.950 N/A GLN 438.A N ASN 450.A O no hydrogen 2.925 N/A GLN 438.A NE2 GLN 436.A OE1 no hydrogen 3.226 N/A SER 441.A N LEU 448.A O no hydrogen 2.942 N/A ARG 442.A NE CYS 446.A O no hydrogen 3.377 N/A LYS 443.A N CYS 446.A O no hydrogen 3.044 N/A CYS 446.A N LYS 443.A O no hydrogen 2.907 N/A CYS 446.A SG HIS 459.A O no hydrogen 3.930 N/A TRP 447.A N HIS 459.A O no hydrogen 2.780 N/A TRP 447.A NE1 ASP 612.A O no hydrogen 3.040 N/A LEU 448.A N SER 441.A O no hydrogen 2.712 N/A LEU 449.A N ALA 457.A O no hydrogen 2.786 N/A ASN 450.A N ASN 439.A O no hydrogen 2.705 N/A PHE 451.A N GLN 455.A O no hydrogen 2.786 N/A ALA 452.A N GLN 436.A O no hydrogen 2.848 N/A GLY 453.A N PHE 451.A O no hydrogen 2.738 N/A ALA 457.A N LEU 449.A O no hydrogen 3.140 N/A HIS 459.A N TRP 447.A O no hydrogen 3.066 N/A HIS 459.A ND1 GLU 271.A OE2 no hydrogen 3.216 N/A HIS 459.A NE2 TYR 298.A OH no hydrogen 2.841 N/A SER 460.A N GLU 271.A OE1 no hydrogen 2.946 N/A VAL 461.A N GLU 271.A O no hydrogen 3.161 N/A VAL 462.A N ASP 613.A O no hydrogen 3.055 N/A VAL 463.A N ALA 273.A O no hydrogen 2.882 N/A LEU 464.A N PHE 615.A O no hydrogen 2.860 N/A ALA 465.A N ILE 275.A O no hydrogen 2.855 N/A ASN 466.A ND2 GLN 469.A O no hydrogen 2.906 N/A GLN 469.A NE2 HIS 468.A NE2 no hydrogen 3.511 N/A ILE 470.A N GLY 467.A O no hydrogen 2.999 N/A ARG 472.A N GLN 469.A O no hydrogen 3.409 N/A PHE 473.A N THR 476.A OG1 no hydrogen 3.150 N/A THR 476.A N PHE 473.A O no hydrogen 2.889 N/A THR 476.A OG1 ILE 470.A O no hydrogen 2.813 N/A THR 476.A OG1 PHE 473.A O no hydrogen 2.868 N/A SER 477.A OG SER 474.A O no hydrogen 3.309 N/A LEU 479.A N THR 476.A O no hydrogen 3.190 N/A TYR 482.A N ALA 574.A O no hydrogen 3.039 N/A SER 483.A OG GLU 531.A OE2 no hydrogen 2.783 N/A VAL 484.A N ARG 572.A O no hydrogen 2.786 N/A ALA 485.A N HIS 527.A O no hydrogen 3.153 N/A GLY 486.A N GLY 570.A O no hydrogen 3.065 N/A GLN 487.A N SER 525.A OG no hydrogen 2.856 N/A GLN 487.A NE2 SER 536.A O no hydrogen 3.327 N/A VAL 488.A N ARG 568.A O no hydrogen 2.960 N/A SER 489.A N ILE 522.A O no hydrogen 2.785 N/A HIS 490.A N GLU 566.A O no hydrogen 2.894 N/A ILE 491.A N HIS 520.A O no hydrogen 3.023 N/A THR 493.A N GLN 518.A O no hydrogen 3.063 N/A THR 493.A OG1 HIS 520.A NE2 no hydrogen 2.735 N/A THR 494.A OG1 GLU 559.A OE1 no hydrogen 3.030 N/A LEU 497.A N THR 494.A OG1 no hydrogen 3.214 N/A ALA 498.A N THR 494.A O no hydrogen 2.812 N/A GLU 499.A N GLU 496.A O no hydrogen 3.386 N/A LEU 500.A N LEU 497.A O no hydrogen 3.235 N/A LYS 501.A N THR 394.A O no hydrogen 2.699 N/A VAL 503.A N GLY 355.A O no hydrogen 3.284 N/A LEU 504.A N LEU 510.A O no hydrogen 3.018 N/A CYS 505.A N THR 357.A O no hydrogen 2.787 N/A TYR 506.A N GLY 508.A O no hydrogen 2.762 N/A TYR 509.A N GLY 523.A O no hydrogen 2.797 N/A LEU 510.A N LEU 504.A O no hydrogen 3.075 N/A THR 511.A N CYS 521.A O no hydrogen 3.039 N/A THR 511.A OG1 PRO 512.A O no hydrogen 2.782 N/A THR 511.A OG1 CYS 521.A O no hydrogen 3.433 N/A ASN 514.A N HIS 519.A O no hydrogen 2.699 N/A ASN 514.A ND2 ASP 350.A OD2 no hydrogen 3.033 N/A ALA 516.A N ASN 514.A OD1 no hydrogen 3.150 N/A ASN 517.A N ASN 514.A O no hydrogen 2.714 N/A GLN 518.A N ASN 514.A O no hydrogen 2.966 N/A GLN 518.A NE2 PRO 515.A O no hydrogen 3.067 N/A HIS 519.A ND1 ASN 517.A O no hydrogen 2.658 N/A HIS 520.A N ILE 491.A O no hydrogen 2.976 N/A HIS 520.A ND1 THR 511.A O no hydrogen 2.758 N/A HIS 520.A NE2 THR 493.A OG1 no hydrogen 2.735 N/A CYS 521.A N THR 511.A OG1 no hydrogen 2.998 N/A ILE 522.A N SER 489.A O no hydrogen 2.864 N/A GLY 523.A N TYR 509.A O no hydrogen 2.838 N/A SER 525.A N GLN 487.A O no hydrogen 3.258 N/A SER 525.A OG ASP 539.A OD2 no hydrogen 2.885 N/A HIS 527.A N ALA 485.A O no hydrogen 2.792 N/A HIS 527.A NE2 ASP 539.A OD1 no hydrogen 3.165 N/A HIS 527.A NE2 ASP 539.A OD2 no hydrogen 2.726 N/A GLY 529.A N SER 483.A O no hydrogen 2.679 N/A SER 530.A N HIS 527.A O no hydrogen 3.326 N/A ASP 532.A N SER 530.A OG no hydrogen 3.198 N/A ALA 534.A N ASP 532.A OD1 no hydrogen 2.985 N/A TYR 535.A OH GLU 537.A OE2 no hydrogen 2.695 N/A ASP 539.A N SER 536.A OG no hydrogen 3.052 N/A GLN 540.A N SER 536.A O no hydrogen 3.099 N/A GLN 540.A NE2 GLN 487.A OE1 no hydrogen 2.822 N/A GLN 541.A N GLU 537.A O no hydrogen 3.050 N/A GLN 542.A N ASP 538.A O no hydrogen 3.026 N/A ASN 543.A N ASP 539.A O no hydrogen 2.865 N/A ASN 543.A N GLN 540.A O no hydrogen 3.152 N/A ASN 543.A ND2 GLN 487.A O no hydrogen 2.801 N/A ASN 543.A ND2 SER 489.A OG no hydrogen 2.918 N/A ARG 544.A NH1 LYS 558.A O no hydrogen 2.632 N/A ARG 544.A NH1 VAL 560.A O no hydrogen 3.091 N/A GLN 545.A N GLN 541.A O no hydrogen 2.790 N/A ARG 546.A N GLN 542.A O no hydrogen 3.070 N/A ARG 546.A NH1 ASP 507.A O no hydrogen 3.137 N/A ARG 546.A NH2 GLN 542.A OE1 no hydrogen 3.427 N/A ARG 546.A NH2 ASN 543.A OD1 no hydrogen 3.432 N/A LEU 547.A N ARG 544.A O no hydrogen 3.080 N/A ILE 548.A N ARG 544.A O no hydrogen 3.349 N/A ASP 549.A N GLN 545.A O no hydrogen 2.807 N/A CYS 550.A N ARG 546.A O no hydrogen 3.134 N/A CYS 550.A N LEU 547.A O no hydrogen 3.140 N/A CYS 550.A SG ARG 546.A O no hydrogen 3.300 N/A PHE 551.A N LEU 547.A O no hydrogen 3.052 N/A ALA 554.A N PHE 551.A O no hydrogen 3.188 N/A TRP 556.A NE1 ALA 397.A O no hydrogen 2.840 N/A ALA 557.A N ALA 554.A O no hydrogen 3.166 N/A LYS 558.A NZ PRO 552.A O no hydrogen 2.664 N/A GLU 559.A N TRP 556.A O no hydrogen 3.221 N/A VAL 560.A N ALA 557.A O no hydrogen 3.485 N/A SER 563.A N ASP 561.A OD1 no hydrogen 3.059 N/A SER 563.A OG ASP 561.A OD1 no hydrogen 2.654 N/A LYS 565.A N VAL 562.A O no hydrogen 3.175 N/A LYS 565.A NZ GLU 537.A OE2 no hydrogen 3.267 N/A ARG 568.A N VAL 488.A O no hydrogen 2.934 N/A CYS 569.A SG ALA 534.A O no hydrogen 4.033 N/A GLY 570.A N GLY 486.A O no hydrogen 3.267 N/A ARG 572.A N VAL 484.A O no hydrogen 2.866 N/A ARG 572.A NE VAL 484.A O no hydrogen 2.952 N/A ARG 572.A NH2 ALA 485.A O no hydrogen 2.965 N/A ARG 572.A NH2 SER 525.A O no hydrogen 2.551 N/A CYS 573.A SG GLY 467.A O no hydrogen 3.971 N/A ALA 574.A N TYR 482.A O no hydrogen 2.938 N/A THR 575.A OG1 ASP 577.A OD2 no hydrogen 3.139 N/A THR 575.A OG1 LEU 579.A O no hydrogen 2.859 N/A HIS 578.A N THR 575.A O no hydrogen 3.066 N/A LEU 579.A N ASP 577.A OD2 no hydrogen 3.199 N/A MET 581.A N ALA 618.A O no hydrogen 2.894 N/A VAL 582.A N LEU 654.A O no hydrogen 3.033 N/A GLY 583.A N MET 616.A O no hydrogen 2.940 N/A ASN 584.A ND2 THR 265.A O no hydrogen 3.053 N/A VAL 585.A N LEU 614.A O no hydrogen 3.118 N/A ASP 587.A N PRO 609.A O no hydrogen 3.004 N/A ALA 590.A N ASP 587.A OD1 no hydrogen 3.075 N/A THR 591.A N ASP 587.A O no hydrogen 2.822 N/A THR 591.A OG1 ASP 587.A O no hydrogen 2.754 N/A LEU 592.A N TYR 588.A O no hydrogen 3.050 N/A VAL 593.A N GLU 589.A O no hydrogen 3.147 N/A GLU 594.A N ALA 590.A O no hydrogen 3.065 N/A TYR 595.A N THR 591.A O no hydrogen 2.934 N/A TYR 595.A OH VAL 606.A O no hydrogen 2.560 N/A ALA 596.A N VAL 593.A O no hydrogen 3.299 N/A GLN 601.A N LEU 598.A O no hydrogen 3.421 N/A GLU 604.A N GLN 601.A O no hydrogen 3.341 N/A ALA 605.A N LYS 602.A O no hydrogen 3.251 N/A ALA 608.A N PRO 260.A O no hydrogen 2.827 N/A PHE 611.A N VAL 585.A O no hydrogen 2.984 N/A PHE 615.A N VAL 462.A O no hydrogen 2.782 N/A MET 616.A N GLY 583.A O no hydrogen 2.743 N/A PHE 617.A N LEU 464.A O no hydrogen 2.897 N/A ALA 618.A N MET 581.A O no hydrogen 2.997 N/A GLY 621.A N CYS 573.A O no hydrogen 2.949 N/A ARG 623.A N LEU 620.A O no hydrogen 3.066 N/A CYS 626.A N ARG 623.A O no hydrogen 3.082 N/A CYS 626.A SG TYR 317.A O no hydrogen 3.511 N/A SER 627.A N ARG 623.A O no hydrogen 3.079 N/A SER 627.A OG ARG 623.A O no hydrogen 3.451 N/A ALA 628.A N GLY 624.A O no hydrogen 2.836 N/A CYS 631.A N SER 627.A O no hydrogen 3.080 N/A CYS 631.A SG SER 627.A O no hydrogen 3.369 N/A ALA 632.A N ALA 628.A O no hydrogen 2.748 N/A GLU 633.A N PRO 629.A O no hydrogen 3.178 N/A ILE 634.A N LEU 630.A O no hydrogen 2.945 N/A LEU 635.A N CYS 631.A O no hydrogen 2.992 N/A ALA 636.A N ALA 632.A O no hydrogen 3.135 N/A ALA 637.A N GLU 633.A O no hydrogen 2.862 N/A GLN 638.A N ILE 634.A O no hydrogen 2.849 N/A GLN 638.A NE2 THR 265.A O no hydrogen 3.168 N/A MET 639.A N LEU 635.A O no hydrogen 2.730 N/A SER 640.A N ALA 637.A O no hydrogen 2.934 N/A SER 640.A OG ALA 636.A O no hydrogen 2.818 N/A ASP 641.A N GLN 638.A O no hydrogen 3.276 N/A GLU 642.A N ALA 637.A O no hydrogen 3.058 N/A MET 646.A N ILE 644.A O no hydrogen 2.856 N/A ALA 648.A N GLN 168.A O no hydrogen 2.875 N/A SER 649.A N ASP 647.A OD1 no hydrogen 3.047 N/A SER 649.A OG ASP 647.A OD1 no hydrogen 2.973 N/A THR 650.A N ASP 647.A OD1 no hydrogen 2.786 N/A THR 650.A OG1 ASP 647.A OD1 no hydrogen 2.902 N/A THR 650.A OG1 ASP 647.A OD2 no hydrogen 2.644 N/A LEU 651.A N ASP 647.A O no hydrogen 3.023 N/A ALA 652.A N ALA 648.A O no hydrogen 3.034 N/A ALA 653.A N SER 649.A O no hydrogen 3.015 N/A LEU 654.A N LEU 651.A O no hydrogen 2.836 N/A ASN 655.A N ALA 652.A O no hydrogen 3.306 N/A ASN 657.A ND2 TRP 261.A O no hydrogen 3.632 N/A ARG 658.A NE ASP 577.A OD1 no hydrogen 2.988 N/A ARG 658.A NH1 PRO 580.A O no hydrogen 2.846 N/A ARG 658.A NH1 ASN 655.A O no hydrogen 2.919 N/A ARG 658.A NH2 ASP 577.A OD2 no hydrogen 2.913 N/A ARG 658.A NH2 LEU 579.A O no hydrogen 2.839 N/A ARG 658.A NH2 PRO 580.A O no hydrogen 3.143 N/A VAL 661.A N ASN 657.A O no hydrogen 3.017 N/A ARG 662.A N ARG 658.A O no hydrogen 2.876 N/A LYS 663.A N LEU 659.A O no hydrogen 3.202 N/A LEU 664.A N TRP 660.A O no hydrogen 2.873 N/A LEU 665.A N VAL 661.A O no hydrogen 2.832 N/A LYS 666.A N ARG 662.A O no hydrogen 3.265 N/A GLY 667.A N LEU 664.A O no hydrogen 3.164 N/A