Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xvk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N LEU 85.A O no hydrogen 2.826 N/A GLN 4.A N THR 15.A O no hydrogen 3.233 N/A GLU 6.A N VAL 13.A O no hydrogen 3.011 N/A THR 8.A N GLY 11.A O no hydrogen 2.881 N/A THR 8.A OG1 GLU 10.A OE1 no hydrogen 3.358 N/A GLU 10.A N THR 8.A OG1 no hydrogen 3.141 N/A VAL 12.A N LEU 26.A O no hydrogen 3.204 N/A VAL 13.A N GLU 6.A O no hydrogen 2.953 N/A LEU 14.A N LEU 24.A O no hydrogen 3.034 N/A THR 15.A N GLN 4.A O no hydrogen 2.891 N/A LEU 16.A N LYS 22.A O no hydrogen 2.857 N/A LYS 22.A N LEU 39.A O no hydrogen 2.759 N/A LYS 22.A NZ GLY 19.A O no hydrogen 3.356 N/A LYS 23.A N LEU 39.A O no hydrogen 3.119 N/A LEU 24.A N LEU 14.A O no hydrogen 2.981 N/A ARG 25.A N THR 37.A O no hydrogen 2.866 N/A ARG 25.A NH2 THR 37.A OG1 no hydrogen 3.107 N/A LEU 26.A N VAL 12.A O no hydrogen 2.877 N/A GLN 27.A N ARG 35.A O no hydrogen 2.957 N/A VAL 28.A N GLU 10.A O no hydrogen 2.620 N/A MET 29.A N ILE 33.A O no hydrogen 2.709 N/A GLY 30.A N ILE 33.A O no hydrogen 3.215 N/A ILE 34.A N PHE 363.A O no hydrogen 3.049 N/A ARG 35.A N GLN 27.A O no hydrogen 2.768 N/A ARG 35.A NE ASP 360.A OD1 no hydrogen 3.133 N/A ARG 35.A NE ASP 360.A OD2 no hydrogen 3.435 N/A ARG 35.A NH1 GLN 27.A OE1 no hydrogen 3.114 N/A ARG 35.A NH2 ASP 360.A OD2 no hydrogen 2.950 N/A VAL 36.A N TYR 361.A O no hydrogen 2.737 N/A THR 37.A N ARG 25.A O no hydrogen 2.859 N/A THR 37.A OG1 ASP 360.A OD1 no hydrogen 2.687 N/A ALA 38.A N ILE 359.A O no hydrogen 2.867 N/A LEU 39.A N LYS 23.A O no hydrogen 2.830 N/A GLY 45.A N ASP 43.A OD1 no hydrogen 3.287 N/A ILE 46.A N ASP 43.A O no hydrogen 2.980 N/A VAL 47.A N PHE 44.A O no hydrogen 2.998 N/A SER 50.A OG ASP 181.A OD1 no hydrogen 3.330 N/A SER 50.A OG ASP 181.A OD2 no hydrogen 2.748 N/A GLN 52.A NE2 TRP 180.A O no hydrogen 3.688 N/A GLN 52.A NE2 ASP 181.A OD1 no hydrogen 2.961 N/A VAL 53.A N SER 50.A OG no hydrogen 2.669 N/A VAL 54.A N LEU 379.A O no hydrogen 2.835 N/A ALA 55.A N LEU 379.A O no hydrogen 3.192 N/A ALA 58.A N VAL 28.A O no hydrogen 3.067 N/A SER 64.A N LYS 75.A O no hydrogen 3.087 N/A ASP 66.A N VAL 73.A O no hydrogen 2.801 N/A ALA 68.A N LYS 71.A O no hydrogen 3.340 N/A LEU 72.A N VAL 83.A O no hydrogen 2.754 N/A VAL 73.A N ASP 66.A O no hydrogen 2.768 N/A LEU 74.A N ALA 81.A O no hydrogen 3.062 N/A LYS 75.A N SER 64.A O no hydrogen 3.031 N/A THR 76.A N VAL 79.A O no hydrogen 2.816 N/A THR 76.A OG1 GLU 31.A O no hydrogen 2.452 N/A SER 77.A OG GLU 31.A OE1 no hydrogen 2.869 N/A GLN 78.A N THR 76.A OG1 no hydrogen 3.261 N/A GLN 78.A NE2 SER 77.A O no hydrogen 3.221 N/A VAL 79.A N THR 76.A OG1 no hydrogen 3.256 N/A SER 80.A N ARG 93.A O no hydrogen 3.026 N/A ALA 81.A N LEU 74.A O no hydrogen 2.937 N/A GLU 82.A N SER 91.A O no hydrogen 2.788 N/A VAL 83.A N LEU 72.A O no hydrogen 2.829 N/A SER 84.A N THR 89.A O no hydrogen 2.925 N/A SER 84.A OG ASP 87.A OD2 no hydrogen 3.280 N/A LEU 85.A N GLU 70.A O no hydrogen 3.150 N/A LEU 86.A N SER 84.A OG no hydrogen 3.246 N/A GLY 88.A N SER 84.A O no hydrogen 3.082 N/A THR 89.A N ASP 87.A OD1 no hydrogen 3.117 N/A THR 89.A OG1 ASP 87.A OD1 no hydrogen 2.539 N/A VAL 90.A N GLU 103.A OE1 no hydrogen 2.730 N/A SER 91.A N GLU 82.A O no hydrogen 2.695 N/A SER 91.A OG GLU 82.A O no hydrogen 3.559 N/A PHE 92.A N LEU 101.A O no hydrogen 2.785 N/A ARG 93.A N SER 80.A O no hydrogen 2.716 N/A ASP 94.A N ASN 98.A O no hydrogen 3.253 N/A GLY 97.A N ASP 94.A O no hydrogen 3.315 N/A ASN 98.A N ASP 94.A OD1 no hydrogen 2.702 N/A LEU 100.A N PHE 92.A O no hydrogen 2.846 N/A LEU 101.A N PHE 92.A O no hydrogen 3.458 N/A GLN 102.A N ASN 131.A OD1 no hydrogen 2.663 N/A GLN 102.A NE2 GLU 103.A O no hydrogen 2.895 N/A GLU 103.A N VAL 90.A O no hydrogen 3.157 N/A GLU 104.A N GLU 129.A O no hydrogen 3.057 N/A ASN 105.A ND2 GLU 129.A OE2 no hydrogen 3.108 N/A ARG 106.A NE ARG 106.A O no hydrogen 2.622 N/A ARG 106.A NH1 GLY 88.A O no hydrogen 2.906 N/A ARG 106.A NH2 GLN 128.A OE1 no hydrogen 3.197 N/A GLY 107.A N ASN 105.A OD1 no hydrogen 2.901 N/A THR 108.A N ARG 127.A O no hydrogen 2.871 N/A SER 110.A N ALA 125.A O no hydrogen 2.849 N/A ASP 117.A N ASP 115.A OD1 no hydrogen 3.255 N/A SER 123.A N ASP 120.A O no hydrogen 3.034 N/A SER 123.A OG ASP 120.A O no hydrogen 3.471 N/A TYR 124.A N GLY 356.A O no hydrogen 2.849 N/A ALA 125.A N SER 110.A O no hydrogen 2.735 N/A LEU 126.A N SER 353.A O no hydrogen 3.086 N/A ARG 127.A N THR 108.A O no hydrogen 2.967 N/A ARG 127.A NE SER 350.A OG no hydrogen 2.901 N/A ARG 127.A NH2 GLU 345.A OE1 no hydrogen 3.090 N/A ARG 127.A NH2 SER 350.A OG no hydrogen 3.329 N/A GLN 128.A N LEU 351.A O no hydrogen 2.934 N/A GLN 128.A NE2 ASN 105.A O no hydrogen 3.270 N/A GLN 128.A NE2 GLU 129.A O no hydrogen 3.069 N/A PHE 130.A N LEU 349.A O no hydrogen 2.717 N/A ASN 131.A N GLN 102.A O no hydrogen 2.943 N/A ASN 131.A ND2 LEU 100.A O no hydrogen 3.261 N/A ASN 131.A ND2 GLU 136.A OE2 no hydrogen 2.788 N/A ARG 132.A N GLU 104.A OE2 no hydrogen 3.326 N/A ARG 132.A NH2 GLU 129.A OE1 no hydrogen 3.278 N/A SER 134.A OG ASN 131.A O no hydrogen 3.201 N/A SER 134.A OG GLU 136.A OE2 no hydrogen 3.047 N/A GLY 137.A N SER 173.A OG no hydrogen 2.658 N/A PHE 138.A N ASN 150.A OD1 no hydrogen 3.354 N/A PHE 139.A N VAL 171.A O no hydrogen 2.720 N/A LEU 141.A N PHE 169.A O no hydrogen 2.942 N/A GLN 143.A N ILE 165.A O no hydrogen 2.830 N/A GLN 143.A NE2 LEU 163.A O no hydrogen 2.797 N/A HIS 144.A NE2 LEU 141.A O no hydrogen 2.889 N/A GLN 145.A NE2 LEU 163.A O no hydrogen 3.029 N/A GLN 145.A NE2 GLN 626.A OE1 no hydrogen 3.422 N/A GLN 148.A NE2 GLU 154.A OE1 no hydrogen 3.028 N/A GLN 148.A NE2 ASN 155.A O no hydrogen 3.196 N/A ASN 150.A ND2 ASP 762.A OD1 no hydrogen 3.010 N/A TYR 151.A N PHE 138.A O no hydrogen 2.822 N/A TYR 151.A OH GLY 140.A O no hydrogen 2.670 N/A ALA 152.A N ASN 150.A OD1 no hydrogen 2.843 N/A GLU 154.A N TYR 151.A O no hydrogen 2.954 N/A ASN 155.A N TYR 311.A OH no hydrogen 2.913 N/A ASN 155.A ND2 GLN 277.A OE1 no hydrogen 3.047 N/A VAL 156.A N PHE 188.A O no hydrogen 3.148 N/A LEU 158.A N THR 186.A O no hydrogen 2.578 N/A THR 160.A OG1 PHE 569.A O no hydrogen 3.510 N/A THR 160.A OG1 ASN 570.A OD1 no hydrogen 2.616 N/A TYR 161.A N VAL 164.A O no hydrogen 3.000 N/A TYR 161.A OH PRO 305.A O no hydrogen 2.848 N/A ASN 162.A ND2 ASP 615.A OD2 no hydrogen 2.929 N/A VAL 164.A N TYR 161.A O no hydrogen 2.989 N/A ILE 165.A N GLN 143.A O no hydrogen 3.142 N/A SER 166.A OG THR 159.A O no hydrogen 2.563 N/A ILE 167.A N LEU 141.A O no hydrogen 3.146 N/A PHE 169.A N ILE 167.A O no hydrogen 2.528 N/A LEU 170.A N LEU 178.A O no hydrogen 2.975 N/A VAL 171.A N PHE 139.A O no hydrogen 2.837 N/A SER 172.A N TYR 176.A O no hydrogen 3.024 N/A SER 172.A OG GLU 136.A OE1 no hydrogen 2.705 N/A SER 173.A N GLY 137.A O no hydrogen 2.951 N/A ARG 174.A N SER 172.A OG no hydrogen 2.820 N/A ARG 174.A NH1 LEU 100.A O no hydrogen 3.154 N/A TYR 176.A N ARG 174.A O no hydrogen 2.964 N/A TYR 176.A OH GLU 136.A OE1 no hydrogen 2.730 N/A GLY 177.A N VAL 364.A O no hydrogen 2.817 N/A LEU 178.A N LEU 170.A O no hydrogen 2.805 N/A LEU 179.A N TYR 362.A O no hydrogen 2.994 N/A TRP 180.A N PRO 168.A O no hydrogen 3.052 N/A TRP 180.A NE1 SER 353.A OG no hydrogen 3.038 N/A ASP 181.A N ASP 360.A O no hydrogen 2.993 N/A ASN 182.A N TRP 180.A O no hydrogen 3.009 N/A ASN 182.A ND2 THR 355.A O no hydrogen 3.166 N/A SER 184.A N ASN 182.A OD1 no hydrogen 2.617 N/A SER 184.A OG ASN 182.A OD1 no hydrogen 2.506 N/A SER 184.A OG THR 355.A O no hydrogen 2.990 N/A THR 186.A N LEU 158.A O no hydrogen 3.412 N/A THR 186.A OG1 SER 184.A O no hydrogen 3.260 N/A THR 186.A OG1 SER 353.A OG no hydrogen 2.773 N/A ARG 187.A N ALA 352.A O no hydrogen 2.818 N/A ARG 187.A NE GLU 157.A OE1 no hydrogen 3.026 N/A ARG 187.A NH1 GLU 354.A OE2 no hydrogen 3.224 N/A ARG 187.A NH2 GLU 157.A OE1 no hydrogen 3.133 N/A PHE 188.A N VAL 156.A O no hydrogen 2.802 N/A GLY 189.A N SER 350.A O no hydrogen 2.794 N/A ASP 190.A N ASN 155.A OD1 no hydrogen 2.741 N/A ARG 192.A N ASP 190.A OD1 no hydrogen 2.912 N/A ARG 192.A NE ASP 190.A OD1 no hydrogen 2.963 N/A ARG 192.A NH1 ASP 339.A OD1 no hydrogen 2.949 N/A ARG 192.A NH2 ASP 190.A OD2 no hydrogen 2.877 N/A ARG 192.A NH2 ASP 339.A O no hydrogen 2.801 N/A ARG 192.A NH2 ASP 339.A OD1 no hydrogen 3.369 N/A GLN 195.A N HIS 337.A O no hydrogen 3.043 N/A GLN 195.A NE2 SER 200.A OG no hydrogen 2.834 N/A GLN 199.A N PRO 196.A O no hydrogen 3.218 N/A LYS 202.A N GLU 269.A O no hydrogen 2.696 N/A TYR 204.A N SER 267.A O no hydrogen 2.931 N/A TYR 204.A OH GLU 210.A OE2 no hydrogen 3.019 N/A TYR 204.A OH GLU 269.A OE1 no hydrogen 3.208 N/A ASP 205.A N LYS 209.A O no hydrogen 3.190 N/A ALA 206.A N THR 214.A OG1 no hydrogen 2.720 N/A GLY 208.A N ASP 205.A O no hydrogen 2.997 N/A LEU 213.A N GLU 229.A O no hydrogen 2.670 N/A THR 214.A N GLU 265.A O no hydrogen 2.898 N/A VAL 215.A N ARG 227.A O no hydrogen 2.757 N/A ARG 216.A N GLU 263.A O no hydrogen 3.060 N/A TYR 217.A N LEU 225.A O no hydrogen 2.760 N/A TYR 217.A OH GLU 229.A OE2 no hydrogen 2.565 N/A PHE 218.A N ARG 261.A O no hydrogen 2.885 N/A VAL 219.A N GLU 222.A O no hydrogen 3.030 N/A GLY 220.A N THR 259.A O no hydrogen 3.034 N/A GLU 222.A N VAL 219.A O no hydrogen 3.047 N/A LYS 224.A N TYR 217.A O no hydrogen 2.872 N/A LYS 224.A NZ GLU 222.A OE2 no hydrogen 2.783 N/A ARG 227.A NH2 TYR 217.A OH no hydrogen 3.490 N/A GLU 229.A N LEU 213.A O no hydrogen 2.839 N/A HIS 234.A N PHE 333.A O no hydrogen 2.774 N/A HIS 234.A ND1 ASN 245.A O no hydrogen 2.923 N/A GLN 235.A N ASN 233.A OD1 no hydrogen 2.836 N/A GLN 235.A NE2 TYR 307.A OH no hydrogen 3.052 N/A TYR 237.A N ASN 547.A O no hydrogen 2.951 N/A LYS 238.A N GLU 242.A O no hydrogen 2.988 N/A GLN 239.A NE2 GLU 493.A O no hydrogen 2.865 N/A GLY 240.A N ASN 495.A OD1 no hydrogen 2.719 N/A GLU 242.A N GLN 239.A O no hydrogen 2.912 N/A GLU 244.A N PHE 236.A O no hydrogen 2.734 N/A GLU 250.A N GLU 250.A OE1 no hydrogen 2.792 N/A VAL 251.A N PRO 248.A O no hydrogen 3.263 N/A ALA 254.A N VAL 251.A O no hydrogen 2.703 N/A TYR 255.A N VAL 251.A O no hydrogen 3.322 N/A TYR 255.A OH GLY 331.A O no hydrogen 3.055 N/A ASN 257.A N ALA 254.A O no hydrogen 3.137 N/A ASN 258.A N TYR 255.A O no hydrogen 3.442 N/A THR 259.A N ALA 254.A O no hydrogen 3.162 N/A THR 259.A N ASN 257.A OD1 no hydrogen 3.264 N/A THR 259.A OG1 ASN 257.A OD1 no hydrogen 2.485 N/A LEU 260.A N ALA 254.A O no hydrogen 3.200 N/A ARG 261.A N PHE 218.A O no hydrogen 2.815 N/A ARG 261.A NE GLY 220.A O no hydrogen 3.526 N/A ARG 261.A NH1 GLU 263.A OE2 no hydrogen 2.667 N/A ARG 261.A NH2 ASP 221.A OD1 no hydrogen 3.252 N/A GLU 263.A N ARG 216.A O no hydrogen 3.199 N/A LEU 264.A N VAL 324.A O no hydrogen 3.020 N/A GLU 265.A N THR 214.A O no hydrogen 3.018 N/A GLY 266.A N LEU 322.A O no hydrogen 3.266 N/A SER 267.A N TYR 204.A O no hydrogen 2.726 N/A ILE 268.A N HIS 320.A O no hydrogen 3.100 N/A GLU 269.A N LYS 202.A O no hydrogen 2.974 N/A GLY 274.A N LEU 314.A O no hydrogen 3.025 N/A LYS 275.A NZ GLY 153.A O no hydrogen 2.920 N/A HIS 276.A N ARG 312.A O no hydrogen 2.969 N/A HIS 276.A NE2 ALA 272.A O no hydrogen 3.204 N/A GLN 277.A N LEU 338.A O no hydrogen 3.135 N/A PHE 278.A N PHE 310.A O no hydrogen 2.966 N/A LYS 279.A N ARG 336.A O no hydrogen 3.030 N/A MET 280.A N HIS 308.A O no hydrogen 2.939 N/A TYR 281.A N HIS 334.A O no hydrogen 3.165 N/A ASN 282.A N TRP 306.A O no hydrogen 3.047 N/A ASN 282.A ND2 SER 283.A O no hydrogen 2.814 N/A SER 283.A N PHE 332.A O no hydrogen 3.032 N/A SER 283.A OG MET 301.A O no hydrogen 2.852 N/A SER 283.A OG ASN 302.A O no hydrogen 2.613 N/A GLY 284.A N ARG 300.A O no hydrogen 2.789 N/A TYR 285.A N LYS 327.A O no hydrogen 3.283 N/A TYR 285.A OH GLU 651.A OE1 no hydrogen 2.679 N/A ALA 286.A N ARG 298.A O no hydrogen 2.882 N/A GLN 287.A N SER 325.A O no hydrogen 2.970 N/A LEU 288.A N LEU 296.A O no hydrogen 2.790 N/A SER 289.A N LYS 323.A O no hydrogen 2.604 N/A SER 289.A OG GLN 287.A OE1 no hydrogen 3.484 N/A LEU 290.A N GLU 293.A O no hydrogen 2.562 N/A ASP 291.A N LYS 321.A O no hydrogen 2.867 N/A GLU 293.A N LEU 290.A O no hydrogen 3.195 N/A VAL 295.A N LEU 288.A O no hydrogen 2.922 N/A LEU 296.A N LEU 288.A O no hydrogen 3.240 N/A ARG 298.A N ALA 286.A O no hydrogen 2.937 N/A ARG 298.A NH1 ASP 297.A O no hydrogen 3.077 N/A ARG 300.A NE HIS 308.A NE2 no hydrogen 3.004 N/A ARG 300.A NH1 ASP 622.A OD2 no hydrogen 3.164 N/A ARG 300.A NH2 HIS 308.A NE2 no hydrogen 3.113 N/A ASN 302.A ND2 ASP 329.A O no hydrogen 3.293 N/A ASN 304.A N MET 301.A O no hydrogen 3.205 N/A TRP 306.A N ASN 282.A O no hydrogen 3.314 N/A HIS 308.A N MET 280.A O no hydrogen 3.060 N/A HIS 308.A ND1 MET 280.A O no hydrogen 2.898 N/A PHE 310.A N PHE 278.A O no hydrogen 3.132 N/A ARG 312.A N HIS 276.A O no hydrogen 3.030 N/A LEU 314.A N GLY 274.A O no hydrogen 3.000 N/A ALA 316.A N THR 273.A OG1 no hydrogen 3.097 N/A GLY 317.A N ALA 270.A O no hydrogen 3.112 N/A ASP 318.A N ASN 315.A O no hydrogen 3.143 N/A HIS 320.A N ILE 268.A O no hydrogen 3.067 N/A HIS 320.A ND1 ASP 291.A OD1 no hydrogen 2.759 N/A HIS 320.A ND1 ASP 291.A OD2 no hydrogen 2.926 N/A LEU 322.A N GLY 266.A O no hydrogen 2.945 N/A LYS 323.A N SER 289.A O no hydrogen 2.899 N/A VAL 324.A N LEU 264.A O no hydrogen 3.036 N/A SER 325.A N GLN 287.A O no hydrogen 2.888 N/A TRP 326.A N ILE 262.A O no hydrogen 3.015 N/A TRP 326.A NE1 SER 283.A O no hydrogen 2.927 N/A LYS 327.A N TYR 285.A O no hydrogen 2.819 N/A LYS 327.A NZ ASP 329.A OD1 no hydrogen 3.459 N/A GLY 331.A N PRO 328.A O no hydrogen 2.741 N/A PHE 333.A N HIS 234.A O no hydrogen 2.882 N/A HIS 334.A N TYR 281.A O no hydrogen 3.125 N/A HIS 334.A ND1 GLN 235.A OE1 no hydrogen 2.965 N/A HIS 334.A NE2 ASP 231.A OD1 no hydrogen 2.807 N/A HIS 334.A NE2 ASP 231.A OD2 no hydrogen 2.902 N/A ARG 336.A N LYS 279.A O no hydrogen 2.886 N/A ARG 336.A NE HIS 334.A ND1 no hydrogen 3.174 N/A ARG 336.A NH1 GLU 193.A OE2 no hydrogen 3.094 N/A ARG 336.A NH1 ALA 194.A O no hydrogen 3.246 N/A ARG 336.A NH2 GLN 235.A OE1 no hydrogen 2.763 N/A HIS 337.A N GLN 195.A O no hydrogen 3.034 N/A HIS 337.A ND1 GLN 277.A O no hydrogen 3.188 N/A LEU 338.A N GLN 277.A O no hydrogen 3.085 N/A ASP 339.A N ASP 339.A OD1 no hydrogen 2.586 N/A GLU 345.A N PRO 342.A O no hydrogen 2.876 N/A GLN 346.A N ALA 343.A O no hydrogen 3.108 N/A GLU 348.A N GLU 345.A O no hydrogen 3.379 N/A LEU 349.A N PHE 130.A O no hydrogen 2.820 N/A SER 350.A OG GLY 189.A O no hydrogen 3.242 N/A LEU 351.A N GLN 128.A O no hydrogen 3.078 N/A ALA 352.A N ARG 187.A O no hydrogen 3.108 N/A SER 353.A N LEU 126.A O no hydrogen 2.920 N/A SER 353.A OG THR 186.A OG1 no hydrogen 2.773 N/A GLU 354.A N ILE 185.A O no hydrogen 3.091 N/A THR 355.A N SER 184.A OG no hydrogen 3.293 N/A GLY 356.A N TYR 124.A O no hydrogen 3.030 N/A LYS 357.A NZ ASP 120.A OD2 no hydrogen 2.651 N/A LYS 357.A NZ ASP 122.A OD1 no hydrogen 3.148 N/A LYS 357.A NZ SER 123.A OG no hydrogen 3.026 N/A ILE 359.A N ALA 38.A O no hydrogen 3.073 N/A TYR 361.A N VAL 36.A O no hydrogen 3.083 N/A TYR 361.A OH GLU 103.A OE2 no hydrogen 2.702 N/A TYR 362.A N LEU 179.A O no hydrogen 2.888 N/A PHE 363.A N ILE 34.A O no hydrogen 2.818 N/A VAL 364.A N GLY 177.A O no hydrogen 2.853 N/A ALA 365.A N ARG 32.A O no hydrogen 2.915 N/A GLY 366.A N ASN 175.A O no hydrogen 3.046 N/A THR 368.A N ASP 371.A OD2 no hydrogen 3.157 N/A THR 368.A OG1 ASP 371.A OD2 no hydrogen 2.925 N/A LYS 369.A NZ SER 172.A O no hydrogen 2.861 N/A LYS 369.A NZ SER 173.A O no hydrogen 3.013 N/A ASP 371.A N THR 368.A OG1 no hydrogen 3.221 N/A ILE 372.A N THR 368.A O no hydrogen 3.052 N/A ILE 373.A N LYS 369.A O no hydrogen 2.917 N/A SER 374.A N ASP 370.A O no hydrogen 3.028 N/A SER 374.A OG ASP 743.A OD2 no hydrogen 2.731 N/A GLY 375.A N ASP 371.A O no hydrogen 3.302 N/A TYR 376.A N ILE 372.A O no hydrogen 3.303 N/A TYR 376.A OH GLN 605.A OE1 no hydrogen 2.672 N/A ARG 377.A N ILE 373.A O no hydrogen 2.914 N/A ARG 377.A NE GLY 637.A O no hydrogen 2.819 N/A ARG 377.A NH1 GLY 744.A O no hydrogen 3.363 N/A ARG 377.A NH2 GLY 637.A O no hydrogen 3.163 N/A ARG 377.A NH2 GLY 744.A O no hydrogen 3.050 N/A GLN 378.A N SER 374.A O no hydrogen 3.046 N/A LEU 379.A N GLY 375.A O no hydrogen 3.084 N/A THR 380.A N TYR 376.A O no hydrogen 2.989 N/A THR 380.A OG1 TYR 376.A O no hydrogen 2.686 N/A GLY 381.A N ARG 377.A O no hydrogen 2.637 N/A LYS 382.A NZ ASP 743.A OD1 no hydrogen 3.035 N/A VAL 384.A N GLN 605.A O no hydrogen 3.413 N/A LYS 388.A N GLY 866.A O no hydrogen 2.769 N/A ALA 390.A N PRO 387.A O no hydrogen 2.907 N/A TYR 391.A N LYS 388.A O no hydrogen 3.088 N/A GLY 392.A N TRP 389.A O no hydrogen 3.098 N/A PHE 393.A N TYR 726.A OH no hydrogen 2.669 N/A TRP 394.A N TYR 693.A O no hydrogen 2.953 N/A TRP 394.A NE1 ALA 390.A O no hydrogen 2.841 N/A GLN 395.A N ASN 422.A O no hydrogen 2.851 N/A GLN 395.A NE2 SER 396.A O no hydrogen 2.880 N/A GLN 395.A NE2 SER 695.A OG no hydrogen 2.953 N/A SER 396.A N SER 695.A O no hydrogen 2.788 N/A SER 396.A OG HIS 696.A ND1 no hydrogen 2.494 N/A ARG 397.A NH2 GLU 703.A OE1 no hydrogen 2.963 N/A ARG 397.A NH2 GLU 703.A OE2 no hydrogen 2.924 N/A GLU 398.A N GLY 697.A O no hydrogen 2.911 N/A TYR 400.A OH GLU 703.A OE2 no hydrogen 2.697 N/A LYS 401.A N GLU 405.A OE2 no hydrogen 3.048 N/A SER 403.A N PHE 444.A O no hydrogen 3.078 N/A GLU 405.A N SER 402.A OG no hydrogen 3.057 N/A ILE 406.A N SER 402.A O no hydrogen 3.247 N/A ILE 407.A N SER 403.A O no hydrogen 3.007 N/A GLN 408.A N ASP 404.A O no hydrogen 2.878 N/A ASN 409.A N GLU 405.A O no hydrogen 3.084 N/A ASN 409.A ND2 GLU 405.A O no hydrogen 2.879 N/A LEU 410.A N ILE 406.A O no hydrogen 3.055 N/A LYS 411.A N ILE 407.A O no hydrogen 2.869 N/A LYS 411.A NZ ASP 415.A OD1 no hydrogen 3.552 N/A LYS 411.A NZ ASP 415.A OD2 no hydrogen 2.862 N/A GLU 412.A N GLN 408.A O no hydrogen 2.965 N/A TYR 413.A N ASN 409.A O no hydrogen 3.308 N/A TYR 413.A OH GLN 395.A OE1 no hydrogen 2.501 N/A ARG 414.A N LEU 410.A O no hydrogen 3.224 N/A ARG 414.A NE MET 458.A O no hydrogen 3.079 N/A ARG 414.A NH1 ILE 420.A O no hydrogen 2.946 N/A ARG 414.A NH1 GLN 837.A O no hydrogen 3.237 N/A ARG 414.A NH2 ILE 420.A O no hydrogen 3.093 N/A ARG 414.A NH2 MET 458.A O no hydrogen 2.966 N/A ASP 415.A N LYS 411.A O no hydrogen 2.757 N/A ARG 416.A N GLU 412.A O no hydrogen 3.059 N/A ARG 416.A N TYR 413.A O no hydrogen 3.052 N/A ARG 416.A NE GLU 412.A OE2 no hydrogen 3.055 N/A ARG 416.A NH1 TYR 715.A OH no hydrogen 3.033 N/A ARG 416.A NH2 GLU 412.A OE2 no hydrogen 3.458 N/A LYS 417.A N ARG 414.A O no hydrogen 3.030 N/A ILE 418.A N TYR 413.A O no hydrogen 3.089 N/A ILE 420.A N GLN 837.A O no hydrogen 2.969 N/A ASP 421.A N PHE 393.A O no hydrogen 3.004 N/A ASN 422.A N PHE 393.A O no hydrogen 3.274 N/A ILE 423.A N GLN 461.A O no hydrogen 3.116 N/A VAL 424.A N GLN 395.A O no hydrogen 3.067 N/A LEU 425.A N MET 463.A O no hydrogen 2.770 N/A TRP 427.A N ASP 426.A OD1 no hydrogen 2.571 N/A TRP 427.A NE1 GLU 398.A OE2 no hydrogen 2.919 N/A TYR 429.A OH SER 465.A O no hydrogen 2.746 N/A ALA 434.A N PRO 431.A O no hydrogen 2.978 N/A SER 437.A N ALA 434.A O no hydrogen 2.982 N/A SER 437.A OG ALA 434.A O no hydrogen 3.145 N/A SER 437.A OG ASP 439.A OD2 no hydrogen 3.180 N/A ASP 439.A N SER 437.A OG no hydrogen 2.998 N/A ASP 441.A N TYR 429.A O no hydrogen 2.855 N/A LYS 442.A NZ PRO 446.A O no hydrogen 3.352 N/A GLN 443.A N ASP 441.A OD1 no hydrogen 3.226 N/A PHE 445.A N ASP 441.A O no hydrogen 2.875 N/A LYS 449.A NZ ASP 453.A OD1 no hydrogen 3.523 N/A LYS 449.A NZ ASP 453.A OD2 no hydrogen 2.809 N/A ALA 450.A N ASP 447.A OD1 no hydrogen 3.280 N/A LEU 451.A N ASP 447.A O no hydrogen 3.208 N/A VAL 452.A N PRO 448.A O no hydrogen 2.924 N/A ASP 453.A N LYS 449.A O no hydrogen 3.025 N/A LYS 454.A N ALA 450.A O no hydrogen 2.976 N/A VAL 455.A N LEU 451.A O no hydrogen 3.003 N/A HIS 456.A N VAL 452.A O no hydrogen 2.816 N/A HIS 456.A NE2 ASP 533.A OD2 no hydrogen 2.592 N/A ALA 457.A N ASP 453.A O no hydrogen 2.848 N/A MET 458.A N LYS 454.A O no hydrogen 3.222 N/A MET 458.A N VAL 455.A O no hydrogen 2.805 N/A ASN 459.A N HIS 456.A O no hydrogen 2.793 N/A ALA 460.A N VAL 455.A O no hydrogen 3.308 N/A GLN 461.A N ASP 421.A O no hydrogen 2.870 N/A ILE 462.A N ASP 533.A OD2 no hydrogen 2.976 N/A MET 463.A N ILE 423.A O no hydrogen 3.089 N/A ILE 464.A N ALA 534.A O no hydrogen 3.191 N/A SER 465.A N LEU 425.A O no hydrogen 2.796 N/A VAL 466.A N TRP 536.A O no hydrogen 3.102 N/A LYS 469.A NZ ASP 497.A OD2 no hydrogen 3.048 N/A PHE 470.A N ALA 506.A O no hydrogen 2.791 N/A TYR 471.A N TRP 435.A O no hydrogen 3.037 N/A TYR 471.A OH ASP 497.A OD2 no hydrogen 2.635 N/A THR 473.A OG1 ASP 433.A O no hydrogen 3.271 N/A THR 474.A N TYR 471.A O no hydrogen 3.171 N/A THR 474.A OG1 TYR 471.A O no hydrogen 3.291 N/A ASN 476.A ND2 GLY 436.A O no hydrogen 3.009 N/A TYR 477.A N THR 474.A OG1 no hydrogen 3.133 N/A TYR 477.A OH ASN 488.A OD1 no hydrogen 2.649 N/A LYS 478.A N THR 474.A O no hydrogen 3.203 N/A GLU 479.A N ASP 475.A O no hydrogen 2.897 N/A LEU 480.A N ASN 476.A O no hydrogen 3.269 N/A ASN 481.A N TYR 477.A O no hydrogen 2.700 N/A ALA 482.A N LYS 478.A O no hydrogen 3.033 N/A LYS 483.A N LEU 480.A O no hydrogen 3.165 N/A GLY 484.A N ASN 481.A O no hydrogen 2.824 N/A PHE 485.A N LEU 480.A O no hydrogen 3.197 N/A PHE 487.A N PHE 507.A O no hydrogen 2.964 N/A ASN 488.A ND2 ASN 481.A OD1 no hydrogen 3.357 N/A ARG 489.A NH1 ASP 117.A OD1 no hydrogen 3.358 N/A ARG 489.A NH1 TRP 555.A O no hydrogen 2.780 N/A ASN 490.A ND2 ASN 505.A O no hydrogen 2.855 N/A LEU 491.A N ASN 488.A O no hydrogen 3.035 N/A ASP 492.A N ASN 488.A O no hydrogen 3.241 N/A GLU 493.A N ARG 489.A O no hydrogen 3.179 N/A LYS 494.A N LEU 491.A O no hydrogen 2.898 N/A ASN 495.A N ASN 490.A O no hydrogen 3.129 N/A ASN 495.A ND2 ASN 490.A OD1 no hydrogen 2.748 N/A ASP 497.A N TYR 503.A O no hydrogen 2.865 N/A ILE 499.A N ASP 497.A OD1 no hydrogen 3.127 N/A GLY 502.A N ILE 499.A O no hydrogen 3.068 N/A TYR 503.A N ASP 497.A OD1 no hydrogen 2.872 N/A TYR 503.A OH GLU 432.A OE2 no hydrogen 3.418 N/A ASN 505.A ND2 TYR 503.A O no hydrogen 3.154 N/A ALA 506.A N PHE 470.A O no hydrogen 2.943 N/A TYR 508.A N PRO 468.A O no hydrogen 3.035 N/A TYR 508.A OH HIS 576.A ND1 no hydrogen 2.849 N/A PHE 511.A N ASP 509.A OD1 no hydrogen 3.176 N/A ALA 515.A N SER 512.A O no hydrogen 3.007 N/A THR 516.A N SER 512.A O no hydrogen 3.083 N/A THR 516.A OG1 PRO 513.A O no hydrogen 3.344 N/A ALA 517.A N PRO 513.A O no hydrogen 2.883 N/A PHE 519.A N ALA 515.A O no hydrogen 2.974 N/A TRP 520.A N THR 516.A O no hydrogen 2.823 N/A LYS 521.A N ALA 517.A O no hydrogen 2.913 N/A LYS 521.A NZ ASP 525.A OD2 no hydrogen 2.877 N/A GLN 522.A N ILE 518.A O no hydrogen 2.843 N/A GLN 522.A NE2 ASN 476.A O no hydrogen 3.160 N/A GLN 522.A NE2 GLU 479.A OE1 no hydrogen 2.850 N/A ILE 523.A N PHE 519.A O no hydrogen 3.131 N/A ARG 524.A N TRP 520.A O no hydrogen 2.812 N/A ARG 524.A NE ASP 525.A OD1 no hydrogen 3.227 N/A ARG 524.A NH2 ASP 525.A OD1 no hydrogen 2.700 N/A ASP 525.A N LYS 521.A O no hydrogen 2.949 N/A LYS 526.A N GLN 522.A O no hydrogen 3.217 N/A ILE 527.A N ILE 523.A O no hydrogen 2.870 N/A ASN 528.A N ILE 523.A O no hydrogen 3.109 N/A HIS 530.A N ILE 527.A O no hydrogen 3.004 N/A GLY 531.A N ASN 528.A O no hydrogen 2.884 N/A ASP 533.A N ILE 462.A O no hydrogen 2.964 N/A TRP 535.A N PHE 594.A O no hydrogen 3.022 N/A TRP 535.A NE1 GLU 584.A OE2 no hydrogen 2.969 N/A TRP 536.A N ILE 464.A O no hydrogen 2.822 N/A LEU 537.A N LEU 596.A O no hydrogen 2.760 N/A ALA 539.A N ASP 538.A OD1 no hydrogen 2.712 N/A GLU 541.A N GLU 541.A OE1 no hydrogen 2.645 N/A HIS 545.A NE2 GLY 240.A O no hydrogen 2.607 N/A SER 546.A OG ASP 543.A OD2 no hydrogen 2.716 N/A ASN 547.A ND2 TRP 303.A O no hydrogen 2.901 N/A THR 549.A OG1 GLU 551.A OE1 no hydrogen 3.507 N/A GLU 551.A N GLU 551.A OE1 no hydrogen 2.646 N/A LYS 552.A N THR 549.A OG1 no hydrogen 2.875 N/A ARG 553.A N THR 549.A O no hydrogen 2.887 N/A ARG 553.A NE LEU 548.A O no hydrogen 2.954 N/A ARG 553.A NH2 LEU 548.A O no hydrogen 3.328 N/A LYS 554.A N PHE 550.A O no hydrogen 2.896 N/A LYS 554.A NZ HIS 114.A O no hydrogen 3.096 N/A LYS 554.A NZ GLU 354.A OE1 no hydrogen 2.863 N/A LYS 554.A NZ GLU 354.A OE2 no hydrogen 3.560 N/A TRP 555.A N GLU 551.A O no hydrogen 2.724 N/A LEU 556.A N LYS 552.A O no hydrogen 2.723 N/A MET 557.A N LYS 554.A O no hydrogen 3.140 N/A THR 558.A N TRP 555.A O no hydrogen 3.035 N/A THR 558.A OG1 ASP 117.A OD2 no hydrogen 2.545 N/A ASN 560.A N GLY 563.A O no hydrogen 3.127 N/A ASN 560.A ND2 MET 557.A O no hydrogen 2.864 N/A ASN 560.A ND2 ASN 564.A O no hydrogen 3.012 N/A ARG 562.A N ASN 560.A OD1 no hydrogen 2.739 N/A ARG 562.A NH1 GLU 49.A O no hydrogen 3.297 N/A ARG 562.A NH2 GLU 49.A O no hydrogen 2.788 N/A GLY 563.A N ASN 560.A O no hydrogen 3.348 N/A ASN 564.A N GLU 567.A OE1 no hydrogen 2.939 N/A ASN 564.A ND2 ASP 115.A OD2 no hydrogen 2.696 N/A ASN 564.A ND2 PRO 118.A O no hydrogen 2.960 N/A GLY 565.A N THR 558.A OG1 no hydrogen 2.856 N/A ILE 568.A N GLY 565.A O no hydrogen 3.472 N/A ASN 570.A N ASN 183.A O no hydrogen 3.020 N/A ASN 570.A ND2 LEU 158.A O no hydrogen 2.799 N/A ALA 571.A N ILE 568.A O no hydrogen 2.917 N/A TYR 572.A OH TYR 508.A O no hydrogen 2.935 N/A VAL 574.A N ALA 571.A O no hydrogen 3.139 N/A HIS 576.A N TYR 572.A O no hydrogen 3.415 N/A HIS 576.A ND1 TYR 508.A OH no hydrogen 2.849 N/A ALA 577.A N ALA 573.A O no hydrogen 2.860 N/A GLU 578.A N VAL 574.A O no hydrogen 2.682 N/A GLY 579.A N PRO 575.A O no hydrogen 3.049 N/A VAL 580.A N HIS 576.A O no hydrogen 3.454 N/A TYR 581.A N ALA 577.A O no hydrogen 2.870 N/A GLN 582.A N GLU 578.A O no hydrogen 2.704 N/A GLY 583.A N GLY 579.A O no hydrogen 2.959 N/A GLU 584.A N VAL 580.A O no hydrogen 3.041 N/A LEU 585.A N TYR 581.A O no hydrogen 2.958 N/A ALA 586.A N GLN 582.A O no hydrogen 2.920 N/A THR 587.A N GLY 583.A O no hydrogen 2.745 N/A THR 587.A OG1 GLY 583.A O no hydrogen 2.919 N/A ASP 588.A N GLU 584.A O no hydrogen 2.781 N/A ASP 590.A N ASP 588.A OD1 no hydrogen 2.861 N/A ARG 592.A N ARG 867.A O no hydrogen 2.771 N/A ARG 592.A NE SER 868.A O no hydrogen 2.657 N/A ARG 592.A NH1 LEU 386.A O no hydrogen 3.062 N/A ARG 592.A NH1 TYR 733.A OH no hydrogen 2.886 N/A ARG 592.A NH2 ASP 864.A OD2 no hydrogen 2.829 N/A ARG 592.A NH2 SER 868.A O no hydrogen 3.569 N/A ILE 595.A N GLY 608.A O no hydrogen 3.252 N/A LEU 596.A N TRP 535.A O no hydrogen 2.939 N/A THR 597.A N ALA 610.A O no hydrogen 2.883 N/A THR 597.A OG1 LEU 537.A O no hydrogen 3.109 N/A ARG 598.A NE GLU 541.A OE2 no hydrogen 3.034 N/A ARG 598.A NH2 GLU 541.A OE1 no hydrogen 2.854 N/A GLY 603.A N TYR 376.A OH no hydrogen 3.015 N/A ILE 604.A N PHE 601.A O no hydrogen 3.165 N/A GLN 605.A N GLN 605.A OE1 no hydrogen 2.791 N/A GLN 605.A NE2 THR 380.A OG1 no hydrogen 2.961 N/A GLN 605.A NE2 GLY 381.A O no hydrogen 2.698 N/A ARG 606.A N GLY 603.A O no hydrogen 2.811 N/A ARG 606.A NE GLU 578.A OE2 no hydrogen 3.086 N/A ARG 606.A NH1 GLN 52.A O no hydrogen 2.837 N/A ARG 606.A NH1 THR 380.A O no hydrogen 2.773 N/A ARG 606.A NH2 ILE 51.A O no hydrogen 2.827 N/A THR 607.A N ILE 604.A O no hydrogen 2.936 N/A THR 607.A OG1 ILE 604.A O no hydrogen 2.679 N/A THR 607.A OG1 SER 609.A OG no hydrogen 2.369 N/A GLY 608.A N GLN 605.A O no hydrogen 3.496 N/A SER 609.A OG THR 607.A OG1 no hydrogen 2.369 N/A ALA 610.A N ILE 595.A O no hydrogen 2.775 N/A ILE 611.A N ASN 640.A O no hydrogen 3.223 N/A TRP 612.A N THR 597.A O no hydrogen 3.326 N/A SER 613.A N THR 642.A O no hydrogen 3.233 N/A SER 613.A OG GLN 626.A OE1 no hydrogen 2.727 N/A ASP 615.A N ASN 162.A OD1 no hydrogen 2.821 N/A VAL 617.A N ASP 622.A OD2 no hydrogen 3.000 N/A SER 618.A N THR 649.A O no hydrogen 2.991 N/A SER 618.A OG GLY 646.A O no hydrogen 2.582 N/A ARG 619.A NH1 GLU 651.A OE2 no hydrogen 2.729 N/A SER 621.A OG ASP 622.A OD1 no hydrogen 3.414 N/A MET 623.A N ARG 619.A O no hydrogen 3.206 N/A LYS 624.A N TRP 620.A O no hydrogen 2.863 N/A ASP 625.A N SER 621.A O no hydrogen 2.966 N/A GLN 626.A N ASP 622.A O no hydrogen 3.004 N/A GLN 626.A N MET 623.A O no hydrogen 2.982 N/A GLN 626.A NE2 GLN 145.A OE1 no hydrogen 2.815 N/A GLN 626.A NE2 ASP 622.A O no hydrogen 2.963 N/A ILE 627.A N LYS 624.A O no hydrogen 3.054 N/A ALA 629.A N ASP 625.A O no hydrogen 3.098 N/A GLY 630.A N GLN 626.A O no hydrogen 2.883 N/A ILE 631.A N ILE 627.A O no hydrogen 2.982 N/A GLY 632.A N ALA 628.A O no hydrogen 2.854 N/A THR 633.A N ALA 629.A O no hydrogen 3.129 N/A THR 633.A OG1 ALA 629.A O no hydrogen 2.868 N/A ASN 634.A N GLY 630.A O no hydrogen 2.962 N/A ASN 634.A ND2 GLY 630.A O no hydrogen 2.951 N/A ASN 634.A ND2 THR 639.A O no hydrogen 3.489 N/A LEU 635.A N ILE 631.A O no hydrogen 2.917 N/A ALA 636.A N THR 633.A O no hydrogen 3.026 N/A GLY 637.A N ASN 634.A O no hydrogen 2.907 N/A VAL 638.A N THR 633.A O no hydrogen 3.155 N/A THR 639.A OG1 ASN 634.A OD1 no hydrogen 2.765 N/A ASN 640.A ND2 TYR 391.A OH no hydrogen 2.625 N/A TRP 641.A NE1 GLN 143.A OE1 no hydrogen 2.877 N/A THR 642.A N ILE 611.A O no hydrogen 2.887 N/A THR 642.A OG1 PHE 643.A O no hydrogen 3.232 N/A THR 642.A OG1 LEU 692.A O no hydrogen 2.903 N/A ILE 645.A N ARG 694.A O no hydrogen 3.114 N/A GLY 647.A N ASP 644.A O no hydrogen 2.797 N/A THR 649.A N ILE 616.A O no hydrogen 3.324 N/A THR 649.A OG1 GLN 698.A OE1 no hydrogen 2.867 N/A ARG 653.A NE GLU 651.A OE1 no hydrogen 2.933 N/A ARG 653.A NE GLU 651.A OE2 no hydrogen 3.001 N/A ARG 653.A NH1 GLN 672.A OE1 no hydrogen 2.815 N/A ARG 653.A NH2 GLU 651.A OE2 no hydrogen 3.467 N/A ARG 653.A NH2 GLU 675.A OE1 no hydrogen 2.804 N/A ARG 653.A NH2 GLU 675.A OE2 no hydrogen 3.137 N/A PHE 654.A N GLU 651.A O no hydrogen 3.190 N/A ARG 655.A N ASP 652.A O no hydrogen 3.126 N/A ARG 655.A NE ASN 699.A O no hydrogen 3.353 N/A ARG 655.A NE ASN 699.A OD1 no hydrogen 2.999 N/A ARG 655.A NH2 ASN 699.A OD1 no hydrogen 2.829 N/A HIS 656.A N ASP 652.A O no hydrogen 3.228 N/A GLY 657.A N GLY 660.A O no hydrogen 2.998 N/A LYS 658.A N ASP 669.A OD1 no hydrogen 2.784 N/A LYS 659.A NZ THR 666.A O no hydrogen 3.532 N/A GLY 660.A N GLY 657.A O no hydrogen 3.070 N/A VAL 662.A N ARG 655.A O no hydrogen 3.044 N/A TRP 665.A N ASN 706.A O no hydrogen 2.968 N/A TRP 665.A NE1 ASP 709.A OD1 no hydrogen 2.869 N/A ALA 667.A N SER 664.A O no hydrogen 3.059 N/A LEU 668.A N TRP 665.A O no hydrogen 3.010 N/A GLU 671.A N GLU 671.A OE1 no hydrogen 2.975 N/A GLN 672.A N ASP 669.A O no hydrogen 2.913 N/A VAL 673.A N ALA 670.A O no hydrogen 3.265 N/A TRP 676.A N GLN 672.A O no hydrogen 3.084 N/A GLN 677.A N VAL 673.A O no hydrogen 2.935 N/A GLN 677.A NE2 ILE 707.A O no hydrogen 3.033 N/A GLU 678.A N ASP 674.A O no hydrogen 2.900 N/A LEU 679.A N GLU 675.A O no hydrogen 2.814 N/A ASN 680.A N TRP 676.A O no hydrogen 3.191 N/A ASN 680.A ND2 TRP 676.A O no hydrogen 2.829 N/A THR 681.A N GLN 677.A O no hydrogen 2.969 N/A THR 681.A OG1 GLN 677.A O no hydrogen 2.799 N/A ARG 682.A N GLU 678.A O no hydrogen 3.036 N/A ARG 682.A NH1 GLN 685.A OE1 no hydrogen 3.194 N/A ARG 682.A NH1 PRO 816.A O no hydrogen 3.066 N/A ARG 682.A NH1 ARG 819.A O no hydrogen 2.999 N/A ARG 682.A NH2 ALA 783.A O no hydrogen 3.215 N/A ARG 682.A NH2 ALA 815.A O no hydrogen 2.778 N/A ARG 682.A NH2 PRO 816.A O no hydrogen 3.173 N/A TRP 683.A N LEU 679.A O no hydrogen 3.064 N/A TYR 684.A N ASN 680.A O no hydrogen 2.873 N/A TYR 684.A OH ARG 702.A O no hydrogen 2.802 N/A GLN 685.A N THR 681.A O no hydrogen 3.159 N/A GLN 685.A NE2 LEU 817.A O no hydrogen 2.983 N/A PHE 686.A N ARG 682.A O no hydrogen 3.184 N/A GLY 687.A N TRP 683.A O no hydrogen 2.743 N/A ALA 688.A N TYR 684.A O no hydrogen 2.944 N/A PHE 689.A N PHE 686.A O no hydrogen 2.913 N/A VAL 690.A N GLY 687.A O no hydrogen 3.209 N/A LEU 692.A N TRP 641.A O no hydrogen 3.341 N/A TYR 693.A OH THR 722.A OG1 no hydrogen 2.857 N/A ARG 694.A NH1 ASP 644.A OD1 no hydrogen 2.614 N/A ARG 694.A NH2 ASP 644.A OD1 no hydrogen 2.763 N/A SER 695.A N TRP 394.A O no hydrogen 3.002 N/A SER 695.A OG TYR 684.A OH no hydrogen 3.243 N/A SER 695.A OG ARG 702.A O no hydrogen 3.344 N/A GLN 698.A N PHE 648.A O no hydrogen 2.864 N/A GLN 698.A NE2 GLU 398.A OE1 no hydrogen 2.657 N/A ASN 699.A ND2 ARG 655.A O no hydrogen 2.957 N/A ASN 699.A ND2 VAL 662.A O no hydrogen 3.070 N/A TYR 701.A N GLY 663.A O no hydrogen 2.762 N/A ARG 702.A NE GLN 698.A O no hydrogen 3.182 N/A ARG 702.A NE PRO 700.A O no hydrogen 2.918 N/A ARG 702.A NH1 GLY 647.A O no hydrogen 2.944 N/A ARG 702.A NH2 GLY 647.A O no hydrogen 2.870 N/A ARG 702.A NH2 GLN 698.A O no hydrogen 2.853 N/A ILE 704.A N TYR 413.A OH no hydrogen 3.129 N/A ASN 706.A N GLU 703.A O no hydrogen 2.753 N/A ASN 706.A ND2 GLU 703.A OE1 no hydrogen 2.635 N/A ILE 707.A N GLU 703.A O no hydrogen 3.076 N/A ILE 707.A N ILE 704.A O no hydrogen 3.235 N/A ALA 708.A N ILE 704.A O no hydrogen 3.313 N/A THR 712.A N ASP 709.A O no hydrogen 3.301 N/A THR 712.A OG1 ASP 709.A O no hydrogen 2.787 N/A TYR 715.A N THR 712.A OG1 no hydrogen 3.319 N/A ASN 716.A N THR 712.A O no hydrogen 3.000 N/A ALA 717.A N GLU 713.A O no hydrogen 2.899 N/A MET 718.A N VAL 714.A O no hydrogen 2.913 N/A VAL 719.A N TYR 715.A O no hydrogen 2.928 N/A TRP 720.A N ASN 716.A O no hydrogen 2.869 N/A TYR 721.A N ALA 717.A O no hydrogen 3.038 N/A TYR 721.A OH TYR 800.A OH no hydrogen 2.615 N/A THR 722.A N MET 718.A O no hydrogen 3.115 N/A THR 722.A OG1 TYR 693.A OH no hydrogen 2.857 N/A THR 722.A OG1 MET 718.A O no hydrogen 2.807 N/A LYS 723.A N VAL 719.A O no hydrogen 2.837 N/A LEU 724.A N TRP 720.A O no hydrogen 2.771 N/A ARG 725.A N TYR 721.A O no hydrogen 3.081 N/A ARG 725.A NE TYR 391.A O no hydrogen 2.878 N/A ARG 725.A NH1 ALA 688.A O no hydrogen 3.038 N/A ARG 725.A NH1 VAL 690.A O no hydrogen 2.992 N/A ARG 725.A NH2 TYR 391.A O no hydrogen 2.898 N/A ARG 725.A NH2 PRO 691.A O no hydrogen 2.783 N/A TYR 726.A N THR 722.A O no hydrogen 3.369 N/A TYR 726.A OH ASP 421.A OD2 no hydrogen 2.766 N/A TYR 727.A N LYS 723.A O no hydrogen 2.797 N/A TYR 727.A OH ASP 924.A OD2 no hydrogen 2.906 N/A LEU 728.A N LEU 724.A O no hydrogen 2.878 N/A LEU 728.A N ARG 725.A O no hydrogen 3.234 N/A MET 729.A N TYR 726.A O no hydrogen 3.165 N/A TYR 731.A OH PHE 769.A O no hydrogen 2.810 N/A ILE 732.A N LEU 728.A O no hydrogen 2.810 N/A TYR 733.A N MET 729.A O no hydrogen 2.715 N/A TYR 733.A OH ASP 864.A OD1 no hydrogen 2.422 N/A TYR 733.A OH ASP 864.A OD2 no hydrogen 3.310 N/A THR 734.A OG1 PRO 730.A O no hydrogen 2.869 N/A LEU 735.A N TYR 731.A O no hydrogen 3.178 N/A GLY 736.A N ILE 732.A O no hydrogen 2.870 N/A GLY 737.A N TYR 733.A O no hydrogen 2.688 N/A ASP 738.A N THR 734.A O no hydrogen 2.777 N/A THR 739.A N LEU 735.A O no hydrogen 2.963 N/A THR 739.A OG1 GLY 736.A O no hydrogen 2.682 N/A TYR 740.A N GLY 737.A O no hydrogen 3.119 N/A HIS 741.A N GLY 737.A O no hydrogen 3.104 N/A HIS 741.A NE2 TYR 862.A OH no hydrogen 2.855 N/A LYS 742.A N ASP 738.A O no hydrogen 2.819 N/A ASP 743.A N TYR 740.A O no hydrogen 3.438 N/A GLY 744.A N ASP 738.A O no hydrogen 2.957 N/A ILE 746.A N THR 639.A OG1 no hydrogen 2.940 N/A MET 747.A N ASN 634.A OD1 no hydrogen 3.100 N/A ARG 748.A N MET 768.A O no hydrogen 2.764 N/A ARG 748.A NE ASP 753.A OD2 no hydrogen 2.696 N/A ARG 748.A NH1 ASP 370.A OD1 no hydrogen 2.860 N/A ARG 748.A NH1 THR 745.A O no hydrogen 3.075 N/A ARG 748.A NH2 ASP 370.A OD1 no hydrogen 3.118 N/A ARG 748.A NH2 ASP 370.A OD2 no hydrogen 2.884 N/A ARG 748.A NH2 ASP 753.A OD1 no hydrogen 2.980 N/A ARG 748.A NH2 ASP 753.A OD2 no hydrogen 3.566 N/A MET 752.A N GLY 749.A O no hydrogen 3.042 N/A PHE 754.A N LEU 750.A O no hydrogen 2.866 N/A ASP 757.A N PHE 754.A O no hydrogen 3.200 N/A ARG 758.A NH1 ASP 135.A OD2 no hydrogen 3.556 N/A ALA 760.A N ASP 757.A O no hydrogen 3.012 N/A ALA 760.A N ASP 757.A OD1 no hydrogen 3.385 N/A TRP 761.A N ASP 757.A O no hydrogen 3.328 N/A TRP 761.A NE1 PRO 755.A O no hydrogen 3.054 N/A ILE 763.A N ALA 760.A O no hydrogen 3.155 N/A ASN 764.A ND2 GLY 147.A O no hydrogen 2.751 N/A GLN 766.A NE2 ASN 776.A OD1 no hydrogen 2.778 N/A GLN 766.A NE2 TYR 789.A O no hydrogen 2.984 N/A TYR 767.A N VAL 775.A O no hydrogen 3.119 N/A TYR 767.A OH PHE 689.A O no hydrogen 2.598 N/A MET 768.A N ARG 748.A O no hydrogen 2.870 N/A PHE 769.A N PHE 773.A O no hydrogen 2.759 N/A GLY 770.A N ILE 746.A O no hydrogen 3.036 N/A ALA 772.A N TYR 731.A OH no hydrogen 2.972 N/A LEU 774.A N PHE 823.A O no hydrogen 2.753 N/A VAL 775.A N TYR 767.A O no hydrogen 2.783 N/A ASN 776.A N PRO 821.A O no hydrogen 3.256 N/A ASN 776.A ND2 PRO 821.A O no hydrogen 2.932 N/A TYR 781.A OH ASP 674.A OD2 no hydrogen 2.640 N/A LYS 782.A N GLU 678.A OE2 no hydrogen 2.743 N/A LYS 782.A NZ ASP 674.A OD2 no hydrogen 2.690 N/A ALA 783.A N GLU 780.A O no hydrogen 3.085 N/A ARG 784.A NH1 GLU 678.A OE2 no hydrogen 2.765 N/A ARG 784.A NH1 ALA 783.A O no hydrogen 2.887 N/A ARG 784.A NH2 GLU 678.A OE1 no hydrogen 2.980 N/A ARG 786.A N ALA 813.A O no hydrogen 3.242 N/A ARG 786.A NE ASP 787.A O no hydrogen 2.818 N/A ARG 786.A NH1 THR 765.A O no hydrogen 2.806 N/A ARG 786.A NH1 PRO 777.A O no hydrogen 2.801 N/A ARG 786.A NH2 THR 765.A O no hydrogen 3.509 N/A ARG 786.A NH2 THR 765.A OG1 no hydrogen 2.686 N/A ARG 786.A NH2 ASP 787.A O no hydrogen 3.201 N/A VAL 788.A N ILE 811.A O no hydrogen 2.935 N/A TYR 789.A N GLN 766.A OE1 no hydrogen 2.952 N/A TYR 789.A OH ASP 757.A OD2 no hydrogen 2.652 N/A LEU 790.A N GLN 809.A O no hydrogen 2.809 N/A ALA 792.A N ASP 757.A OD2 no hydrogen 3.301 N/A TRP 796.A N LEU 805.A O no hydrogen 2.912 N/A TRP 796.A NE1 PRO 791.A O no hydrogen 3.197 N/A TYR 797.A N VAL 824.A O no hydrogen 2.716 N/A TYR 797.A OH THR 853.A O no hydrogen 2.596 N/A ASN 798.A N GLU 803.A O no hydrogen 2.861 N/A PHE 799.A N LEU 822.A O no hydrogen 3.125 N/A TYR 800.A N ASN 798.A OD1 no hydrogen 2.740 N/A TYR 800.A OH TYR 721.A OH no hydrogen 2.615 N/A TYR 800.A OH VAL 820.A O no hydrogen 2.675 N/A THR 801.A N ASN 798.A OD1 no hydrogen 3.229 N/A GLY 802.A N ASN 798.A O no hydrogen 2.856 N/A GLU 803.A N THR 801.A OG1 no hydrogen 3.098 N/A LEU 805.A N TRP 796.A O no hydrogen 2.724 N/A GLY 808.A N LEU 790.A O no hydrogen 2.677 N/A GLN 809.A NE2 ALA 806.A O no hydrogen 2.774 N/A ILE 811.A N VAL 788.A O no hydrogen 2.923 N/A ALA 813.A N ARG 786.A O no hydrogen 3.017 N/A ALA 815.A N ARG 784.A O no hydrogen 3.039 N/A ARG 819.A N PRO 816.A O no hydrogen 2.989 N/A ARG 819.A NH1 ALA 818.A O no hydrogen 2.924 N/A VAL 820.A N TYR 721.A OH no hydrogen 3.040 N/A PHE 823.A N LEU 774.A O no hydrogen 3.086 N/A VAL 824.A N TYR 797.A O no hydrogen 2.718 N/A LYS 825.A N ALA 772.A O no hydrogen 3.123 N/A ALA 826.A N ASP 795.A O no hydrogen 2.909 N/A GLY 827.A N TYR 852.A O no hydrogen 2.562 N/A ALA 828.A N LYS 825.A O no hydrogen 2.963 N/A VAL 830.A N THR 850.A O no hydrogen 2.809 N/A THR 832.A N LEU 848.A O no hydrogen 2.860 N/A THR 832.A OG1 LEU 848.A O no hydrogen 3.452 N/A GLY 833.A N TYR 727.A O no hydrogen 2.999 N/A GLN 837.A N GLU 841.A OE1 no hydrogen 3.050 N/A GLN 837.A NE2 LYS 417.A O no hydrogen 3.303 N/A VAL 839.A N ASP 421.A OD1 no hydrogen 3.136 N/A VAL 839.A N ASP 421.A OD2 no hydrogen 3.159 N/A GLU 841.A N HIS 838.A O no hydrogen 3.005 N/A GLY 842.A N VAL 839.A O no hydrogen 2.951 N/A LEU 843.A N ASP 840.A O no hydrogen 3.188 N/A ASN 844.A ND2 GLY 901.A O no hydrogen 2.675 N/A SER 845.A N GLY 842.A O no hydrogen 3.306 N/A SER 845.A OG GLY 842.A O no hydrogen 3.232 N/A SER 845.A OG PRO 846.A O no hydrogen 3.264 N/A LEU 847.A N ASN 907.A O no hydrogen 2.978 N/A LEU 848.A N THR 832.A O no hydrogen 2.825 N/A ILE 849.A N ARG 909.A O no hydrogen 2.802 N/A THR 850.A N VAL 830.A O no hydrogen 3.016 N/A VAL 851.A N ARG 911.A O no hydrogen 2.951 N/A TYR 852.A N ALA 828.A O no hydrogen 3.008 N/A THR 853.A N ILE 913.A O no hydrogen 3.096 N/A THR 853.A OG1 TYR 797.A OH no hydrogen 3.382 N/A THR 853.A OG1 ILE 913.A O no hydrogen 3.303 N/A GLY 854.A N ASP 885.A OD1 no hydrogen 3.252 N/A GLY 857.A N TYR 883.A O no hydrogen 2.872 N/A PHE 859.A N LEU 881.A O no hydrogen 2.948 N/A ILE 861.A N ILE 879.A O no hydrogen 3.086 N/A TYR 862.A N THR 734.A OG1 no hydrogen 2.936 N/A TYR 862.A OH HIS 741.A NE2 no hydrogen 2.855 N/A TYR 862.A OH ASP 864.A OD2 no hydrogen 2.654 N/A GLU 863.A N SER 877.A O no hydrogen 2.970 N/A GLY 866.A N ASP 864.A OD1 no hydrogen 2.976 N/A ARG 867.A N ASP 865.A OD1 no hydrogen 2.837 N/A ARG 867.A NE ASP 840.A OD1 no hydrogen 3.543 N/A ARG 867.A NE ASP 840.A OD2 no hydrogen 2.946 N/A ARG 867.A NH1 GLN 461.A OE1 no hydrogen 3.060 N/A ARG 867.A NH2 GLN 461.A OE1 no hydrogen 2.748 N/A ARG 867.A NH2 ASP 840.A OD2 no hydrogen 3.036 N/A SER 868.A N ASP 865.A OD1 no hydrogen 2.756 N/A SER 868.A OG ASP 865.A OD1 no hydrogen 3.286 N/A SER 868.A OG ASP 865.A OD2 no hydrogen 2.528 N/A LYS 870.A N SER 868.A OG no hydrogen 2.921 N/A LYS 870.A NZ ASP 590.A OD2 no hydrogen 3.236 N/A GLN 872.A N LEU 869.A O no hydrogen 2.874 N/A GLN 872.A NE2 TYR 871.A OH no hydrogen 3.047 N/A GLN 873.A N LYS 870.A O no hydrogen 2.856 N/A GLY 874.A N TYR 871.A O no hydrogen 3.231 N/A GLU 875.A N LYS 870.A O no hydrogen 3.172 N/A TRP 876.A N GLY 874.A O no hydrogen 2.947 N/A SER 877.A N GLU 863.A O no hydrogen 2.867 N/A ARG 878.A N VAL 896.A O no hydrogen 2.830 N/A ARG 878.A NH1 ASP 738.A OD1 no hydrogen 2.835 N/A ARG 878.A NH1 ASP 860.A O no hydrogen 2.960 N/A ARG 878.A NH2 ASP 738.A OD1 no hydrogen 2.533 N/A ILE 879.A N ILE 861.A O no hydrogen 2.981 N/A LEU 881.A N PHE 859.A O no hydrogen 2.923 N/A SER 882.A N ILE 891.A O no hydrogen 2.930 N/A TYR 883.A N GLY 857.A O no hydrogen 2.905 N/A TYR 883.A OH ASP 885.A OD1 no hydrogen 2.584 N/A ASP 884.A N THR 889.A O no hydrogen 3.009 N/A ASP 885.A N ASN 856.A OD1 no hydrogen 2.847 N/A VAL 886.A N ASP 884.A OD1 no hydrogen 3.020 N/A THR 887.A OG1 ASP 884.A O no hydrogen 3.569 N/A THR 887.A OG1 THR 889.A OG1 no hydrogen 3.415 N/A THR 889.A N ASP 884.A O no hydrogen 3.037 N/A THR 889.A OG1 THR 887.A O no hydrogen 3.257 N/A THR 889.A OG1 THR 887.A OG1 no hydrogen 3.415 N/A LEU 890.A N ILE 940.A O no hydrogen 3.100 N/A ILE 891.A N SER 882.A O no hydrogen 2.783 N/A ILE 892.A N VAL 938.A O no hydrogen 2.902 N/A GLY 893.A N PRO 880.A O no hydrogen 2.722 N/A ARG 895.A N GLY 935.A O no hydrogen 2.982 N/A ARG 895.A NH1 ASP 904.A O no hydrogen 2.938 N/A ARG 895.A NH2 ASP 904.A O no hydrogen 3.110 N/A VAL 896.A N ARG 878.A O no hydrogen 2.842 N/A THR 900.A N GLU 875.A OE1 no hydrogen 3.110 N/A THR 900.A OG1 GLU 875.A OE1 no hydrogen 3.073 N/A MET 902.A N PHE 899.A O no hydrogen 2.989 N/A ALA 903.A N ASN 844.A OD1 no hydrogen 2.889 N/A ARG 906.A N TYR 933.A O no hydrogen 2.769 N/A ARG 906.A NE SER 845.A O no hydrogen 3.373 N/A ARG 906.A NH1 GLU 863.A OE1 no hydrogen 2.782 N/A ARG 906.A NH1 GLU 863.A OE2 no hydrogen 3.437 N/A ARG 906.A NH2 SER 845.A O no hydrogen 2.879 N/A ARG 906.A NH2 GLU 863.A OE2 no hydrogen 2.815 N/A ILE 908.A N VAL 931.A O no hydrogen 3.054 N/A ARG 909.A N LEU 847.A O no hydrogen 2.825 N/A ARG 909.A NH2 PHE 923.A O no hydrogen 2.653 N/A VAL 910.A N GLU 929.A O no hydrogen 2.762 N/A ARG 911.A N ILE 849.A O no hydrogen 2.932 N/A ARG 911.A NE THR 850.A OG1 no hydrogen 2.922 N/A ARG 911.A NH1 ASP 919.A O no hydrogen 2.758 N/A ARG 911.A NH2 ALA 920.A O no hydrogen 2.948 N/A ILE 913.A N VAL 851.A O no hydrogen 2.847 N/A THR 917.A N THR 801.A O no hydrogen 3.010 N/A ASP 919.A N THR 917.A OG1 no hydrogen 3.216 N/A ALA 920.A N THR 917.A O no hydrogen 3.327 N/A ASN 922.A N ASP 919.A O no hydrogen 3.088 N/A LYS 925.A N ASN 922.A O no hydrogen 3.247 N/A ALA 926.A N ASN 922.A O no hydrogen 3.017 N/A GLU 929.A N VAL 910.A O no hydrogen 2.946 N/A VAL 931.A N ILE 908.A O no hydrogen 2.839 N/A TYR 933.A N ARG 906.A O no hydrogen 2.921 N/A TYR 933.A OH GLY 893.A O no hydrogen 2.810 N/A SER 937.A N ASP 894.A OD1 no hydrogen 2.832 N/A SER 937.A OG ILE 892.A O no hydrogen 3.430 N/A VAL 938.A N ILE 892.A O no hydrogen 3.029 N/A ILE 940.A N LEU 890.A O no hydrogen 2.815 N/A ARG 942.A N GLY 888.A O no hydrogen 2.842 N/A