Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8aj8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N VAL 26.A O no hydrogen 2.856 N/A ILE 5.A N LEU 24.A O no hydrogen 2.894 N/A GLU 6.A N GLY 98.A O no hydrogen 2.733 N/A PHE 7.A N ALA 22.A O no hydrogen 2.876 N/A VAL 8.A N ILE 100.A O no hydrogen 2.728 N/A LEU 9.A N GLU 20.A O no hydrogen 2.734 N/A THR 11.A OG1 TYR 53.A OH no hydrogen 2.901 N/A GLN 13.A N THR 18.A O no hydrogen 2.864 N/A ARG 14.A NH2 VAL 48.A O no hydrogen 3.247 N/A THR 16.A OG1 GLN 13.A OE1 no hydrogen 3.402 N/A THR 16.A OG1 THR 18.A OG1 no hydrogen 2.617 N/A THR 18.A OG1 THR 16.A OG1 no hydrogen 2.617 N/A GLU 20.A N THR 11.A O no hydrogen 2.951 N/A THR 21.A OG1 GLU 6.A OE2 no hydrogen 3.423 N/A ALA 22.A N PHE 7.A O no hydrogen 2.923 N/A LEU 24.A N ILE 5.A O no hydrogen 2.931 N/A VAL 26.A N ILE 3.A O no hydrogen 2.928 N/A GLY 28.A N GLU 1.A O no hydrogen 3.351 N/A GLY 30.A N ALA 27.A O no hydrogen 2.970 N/A ASN 31.A N GLN 34.A OE1 no hydrogen 3.192 N/A VAL 32.A N GLN 79.A O no hydrogen 2.941 N/A GLU 33.A N LYS 77.A O no hydrogen 2.805 N/A GLN 34.A N ASN 31.A OD1 no hydrogen 2.806 N/A MET 35.A N ASN 31.A O no hydrogen 3.142 N/A LYS 36.A N VAL 32.A O no hydrogen 2.895 N/A LYS 36.A NZ PRO 58.A O no hydrogen 2.983 N/A LYS 36.A NZ PHE 61.A O no hydrogen 2.699 N/A ALA 37.A N GLU 33.A O no hydrogen 2.962 N/A GLN 38.A N GLN 34.A O no hydrogen 2.893 N/A VAL 39.A N MET 35.A O no hydrogen 2.939 N/A TRP 40.A N LYS 36.A O no hydrogen 2.910 N/A TRP 40.A NE1 TYR 53.A O no hydrogen 3.218 N/A LEU 41.A N ALA 37.A O no hydrogen 2.931 N/A ARG 42.A N GLN 38.A O no hydrogen 2.930 N/A ALA 43.A N VAL 39.A O no hydrogen 2.889 N/A LEU 44.A N TRP 40.A O no hydrogen 2.918 N/A GLU 45.A N LEU 41.A O no hydrogen 2.950 N/A THR 46.A N ARG 42.A O no hydrogen 2.928 N/A THR 46.A OG1 ARG 42.A O no hydrogen 2.723 N/A SER 47.A N ALA 43.A O no hydrogen 2.905 N/A SER 47.A OG GLU 20.A OE1 no hydrogen 2.672 N/A SER 47.A OG GLU 20.A OE2 no hydrogen 3.281 N/A SER 49.A N SER 47.A OG no hydrogen 3.000 N/A PHE 52.A N SER 49.A O no hydrogen 2.924 N/A TYR 53.A OH THR 11.A OG1 no hydrogen 2.901 N/A HIS 54.A N ALA 50.A O no hydrogen 2.928 N/A ARG 55.A N ASP 51.A O no hydrogen 2.940 N/A ARG 55.A NE ASP 51.A O no hydrogen 3.437 N/A LEU 56.A N PHE 52.A O no hydrogen 3.264 N/A HIS 60.A N GLY 57.A O no hydrogen 3.175 N/A HIS 60.A ND1 GLY 57.A O no hydrogen 3.189 N/A PHE 61.A N PRO 58.A O no hydrogen 3.013 N/A LEU 62.A N VAL 103.A O no hydrogen 2.787 N/A LEU 64.A N HIS 101.A O no hydrogen 2.924 N/A TYR 65.A N TYR 72.A O no hydrogen 2.892 N/A TYR 65.A OH ASP 85.A OD2 no hydrogen 3.420 N/A TYR 65.A OH ASP 291.A OD2 no hydrogen 2.951 N/A LYS 67.A N GLN 70.A O no hydrogen 2.870 N/A LYS 67.A NZ ASP 85.A OD2 no hydrogen 2.673 N/A LYS 68.A N TYR 89.A OH no hydrogen 3.337 N/A GLN 70.A N LYS 67.A O no hydrogen 2.907 N/A TYR 72.A N TYR 65.A O no hydrogen 2.849 N/A GLU 73.A N LEU 289.A O no hydrogen 2.626 N/A ILE 74.A N LEU 63.A O no hydrogen 2.737 N/A TYR 78.A N ASP 76.A OD1 no hydrogen 3.266 N/A GLN 79.A N ASP 76.A O no hydrogen 3.262 N/A GLN 79.A NE2 THR 83.A O no hydrogen 3.478 N/A GLN 79.A NE2 THR 83.A OG1 no hydrogen 3.311 N/A VAL 81.A N GLY 30.A O no hydrogen 2.680 N/A GLN 82.A N GLY 28.A O no hydrogen 2.783 N/A THR 83.A N VAL 80.A O no hydrogen 2.944 N/A THR 83.A OG1 VAL 80.A O no hydrogen 2.670 N/A THR 83.A OG1 VAL 296.A O no hydrogen 3.080 N/A LEU 84.A N VAL 81.A O no hydrogen 3.005 N/A LEU 87.A N LEU 84.A O no hydrogen 3.130 N/A TYR 89.A N ASP 85.A O no hydrogen 2.958 N/A TRP 90.A N CYS 86.A O no hydrogen 2.878 N/A LYS 91.A N LEU 87.A O no hydrogen 2.885 N/A VAL 92.A N ARG 88.A O no hydrogen 2.986 N/A LEU 93.A N TYR 89.A O no hydrogen 3.141 N/A HIS 94.A N LYS 91.A O no hydrogen 3.239 N/A ARG 95.A N TRP 90.A O no hydrogen 2.960 N/A GLN 99.A NE2 GLU 6.A OE1 no hydrogen 2.772 N/A ILE 100.A N GLU 6.A O no hydrogen 2.881 N/A HIS 101.A N LEU 64.A O no hydrogen 2.883 N/A VAL 102.A N VAL 8.A O no hydrogen 2.793 N/A VAL 103.A N LEU 62.A O no hydrogen 2.957 N/A ARG 105.A N HIS 60.A O no hydrogen 2.657 N/A SER 109.A OG THR 112.A OG1 no hydrogen 3.032 N/A THR 112.A N SER 109.A OG no hydrogen 3.110 N/A THR 112.A OG1 SER 109.A OG no hydrogen 3.032 N/A THR 112.A OG1 GLU 286.A OE1 no hydrogen 2.681 N/A THR 112.A OG1 GLU 286.A OE2 no hydrogen 3.064 N/A LEU 113.A N SER 109.A O no hydrogen 3.040 N/A ALA 114.A N GLU 110.A O no hydrogen 2.923 N/A PHE 115.A N GLU 111.A O no hydrogen 2.917 N/A GLN 116.A N THR 112.A O no hydrogen 2.870 N/A GLN 116.A NE2 GLN 116.A O no hydrogen 3.533 N/A GLN 116.A NE2 ASN 120.A OD1 no hydrogen 2.875 N/A GLN 116.A NE2 GLU 649.A OE2 no hydrogen 3.204 N/A ARG 117.A N LEU 113.A O no hydrogen 2.913 N/A ARG 117.A NE LEU 113.A O no hydrogen 3.503 N/A GLN 118.A N ALA 114.A O no hydrogen 2.944 N/A LEU 119.A N PHE 115.A O no hydrogen 2.893 N/A ASN 120.A N GLN 116.A O no hydrogen 2.829 N/A ALA 121.A N ARG 117.A O no hydrogen 2.932 N/A LEU 122.A N GLN 118.A O no hydrogen 2.950 N/A ILE 123.A N LEU 119.A O no hydrogen 2.809 N/A GLY 124.A N ASN 120.A O no hydrogen 2.810 N/A THR 128.A N ASP 126.A OD1 no hydrogen 2.943 N/A THR 128.A OG1 ASP 126.A OD1 no hydrogen 2.510 N/A ASP 129.A N ASP 126.A O no hydrogen 3.329 N/A SER 131.A N ASP 129.A OD1 no hydrogen 3.075 N/A SER 131.A OG ASP 129.A OD1 no hydrogen 2.746 N/A SER 131.A OG ASP 129.A OD2 no hydrogen 3.090 N/A GLU 137.A N ASP 135.A OD1 no hydrogen 2.918 N/A PHE 140.A N ASP 136.A O no hydrogen 2.843 N/A THR 141.A N GLU 137.A O no hydrogen 2.873 N/A THR 141.A OG1 GLU 137.A O no hydrogen 2.866 N/A ARG 142.A N LEU 138.A O no hydrogen 2.947 N/A ARG 142.A NE GLU 649.A OE1 no hydrogen 3.007 N/A ARG 142.A NH1 GLU 139.A OE1 no hydrogen 2.633 N/A ARG 142.A NH2 GLU 649.A OE2 no hydrogen 2.955 N/A ARG 143.A N GLU 139.A O no hydrogen 2.941 N/A ARG 143.A NH2 GLU 73.A OE1 no hydrogen 2.880 N/A ARG 143.A NH2 PRO 288.A O no hydrogen 2.958 N/A ARG 144.A N PHE 140.A O no hydrogen 2.915 N/A LEU 145.A N THR 141.A O no hydrogen 2.911 N/A VAL 146.A N ARG 143.A O no hydrogen 3.211 N/A THR 147.A OG1 VAL 290.A O no hydrogen 2.438 N/A ARG 149.A N LEU 145.A O no hydrogen 3.349 N/A ARG 149.A NH1 GLU 285.A OE1 no hydrogen 2.853 N/A ARG 149.A NH2 GLU 285.A OE1 no hydrogen 2.736 N/A MET 150.A N VAL 146.A O no hydrogen 2.842 N/A ALA 151.A N THR 147.A O no hydrogen 2.869 N/A GLU 152.A N PRO 148.A O no hydrogen 2.924 N/A VAL 153.A N ARG 149.A O no hydrogen 2.885 N/A ALA 154.A N MET 150.A O no hydrogen 2.864 N/A GLY 155.A N ALA 151.A O no hydrogen 3.079 N/A ARG 156.A N VAL 153.A O no hydrogen 3.210 N/A ARG 156.A NH1 LEU 617.A O no hydrogen 3.398 N/A ARG 156.A NH1 GLY 654.A O no hydrogen 2.880 N/A ARG 156.A NH2 ASP 280.A O no hydrogen 2.846 N/A ARG 156.A NH2 GLY 654.A O no hydrogen 3.440 N/A LYS 159.A N ASP 157.A OD1 no hydrogen 2.876 N/A LEU 160.A N ASP 157.A OD1 no hydrogen 3.383 N/A TYR 161.A N ASP 157.A O no hydrogen 2.876 N/A ALA 162.A N PRO 158.A O no hydrogen 2.890 N/A MET 163.A N LEU 160.A O no hydrogen 3.152 N/A HIS 164.A ND1 PRO 165.A O no hydrogen 2.971 N/A TRP 166.A NE1 ASP 585.A OD1 no hydrogen 2.863 N/A THR 168.A N ASN 253.A O no hydrogen 2.902 N/A SER 169.A OG GLU 583.A OE1 no hydrogen 3.112 N/A SER 169.A OG GLU 583.A OE2 no hydrogen 2.416 N/A LYS 170.A N THR 168.A OG1 no hydrogen 3.263 N/A LYS 170.A NZ ASP 586.A OD1 no hydrogen 2.976 N/A LYS 170.A NZ SER 784.A OG no hydrogen 2.864 N/A LEU 176.A N PRO 173.A O no hydrogen 3.050 N/A LEU 177.A N PRO 173.A O no hydrogen 3.069 N/A LYS 178.A N GLU 174.A O no hydrogen 2.948 N/A LYS 178.A NZ GLU 174.A OE2 no hydrogen 2.971 N/A LYS 179.A N LEU 176.A O no hydrogen 2.911 N/A LYS 179.A NZ LEU 261.A O no hydrogen 3.060 N/A ILE 180.A N LEU 177.A O no hydrogen 3.075 N/A ASN 183.A ND2 ASP 203.A OD2 no hydrogen 2.871 N/A CYS 184.A N THR 181.A O no hydrogen 2.919 N/A CYS 184.A SG ASN 182.A O no hydrogen 3.161 N/A VAL 185.A N VAL 200.A O no hydrogen 2.889 N/A ILE 187.A N ILE 198.A O no hydrogen 2.925 N/A VAL 188.A N ILE 267.A O no hydrogen 2.818 N/A ILE 189.A N GLN 196.A O no hydrogen 2.916 N/A HIS 190.A N LEU 269.A O no hydrogen 2.584 N/A HIS 190.A NE2 HIS 268.A ND1 no hydrogen 2.932 N/A ARG 191.A N THR 194.A O no hydrogen 2.875 N/A ARG 191.A NE MET 224.A O no hydrogen 3.225 N/A ARG 191.A NE ASP 225.A O no hydrogen 3.465 N/A ARG 191.A NH1 LEU 271.A O no hydrogen 2.975 N/A ARG 191.A NH2 ASP 225.A O no hydrogen 3.382 N/A SER 192.A OG ASP 225.A OD2 no hydrogen 3.172 N/A THR 194.A N ARG 191.A O no hydrogen 2.912 N/A THR 194.A OG1 ARG 191.A O no hydrogen 2.930 N/A GLN 196.A N ILE 189.A O no hydrogen 2.919 N/A GLN 196.A NE2 THR 197.A O no hydrogen 2.976 N/A ILE 198.A N ILE 187.A O no hydrogen 2.903 N/A VAL 200.A N VAL 185.A O no hydrogen 2.911 N/A SER 201.A N ASP 204.A OD2 no hydrogen 2.906 N/A ALA 202.A N ASN 183.A O no hydrogen 2.823 N/A ASP 203.A N SER 201.A OG no hydrogen 3.325 N/A ASP 204.A N SER 201.A O no hydrogen 3.049 N/A THR 205.A OG1 THR 208.A OG1 no hydrogen 3.162 N/A THR 208.A N THR 205.A OG1 no hydrogen 3.334 N/A THR 208.A OG1 THR 205.A OG1 no hydrogen 3.162 N/A ILE 209.A N THR 205.A O no hydrogen 2.898 N/A LEU 210.A N PRO 206.A O no hydrogen 2.889 N/A GLN 211.A N GLY 207.A O no hydrogen 2.910 N/A SER 212.A N THR 208.A O no hydrogen 2.927 N/A PHE 213.A N ILE 209.A O no hydrogen 2.878 N/A PHE 214.A N LEU 210.A O no hydrogen 2.906 N/A THR 215.A N GLN 211.A O no hydrogen 2.905 N/A THR 215.A OG1 GLN 211.A O no hydrogen 2.790 N/A LYS 216.A N SER 212.A O no hydrogen 2.905 N/A MET 217.A N PHE 213.A O no hydrogen 2.849 N/A LYS 220.A N MET 217.A O no hydrogen 2.764 N/A LYS 221.A NZ GLN 230.A O no hydrogen 2.911 N/A LEU 223.A N LYS 220.A O no hydrogen 3.089 N/A MET 224.A N LYS 221.A O no hydrogen 2.907 N/A ASP 225.A N SER 222.A O no hydrogen 3.427 N/A ILE 226.A N LYS 221.A O no hydrogen 3.173 N/A GLN 230.A N PRO 227.A O no hydrogen 2.969 N/A ASN 231.A N ASP 233.A OD2 no hydrogen 2.842 N/A GLU 232.A N GLU 232.A OE1 no hydrogen 2.625 N/A VAL 235.A N ASP 272.A O no hydrogen 2.851 N/A ARG 237.A N VAL 270.A O no hydrogen 2.947 N/A ARG 237.A NE ASP 272.A OD2 no hydrogen 2.923 N/A ARG 237.A NH1 ARG 241.A O no hydrogen 2.830 N/A ARG 237.A NH1 ASP 750.A OD2 no hydrogen 2.706 N/A ARG 237.A NH2 ASP 272.A OD2 no hydrogen 3.010 N/A VAL 238.A N GLU 243.A O no hydrogen 2.807 N/A CYS 239.A N HIS 268.A O no hydrogen 3.497 N/A GLY 240.A N THR 752.A OG1 no hydrogen 2.844 N/A ARG 241.A N VAL 238.A O no hydrogen 3.209 N/A ARG 241.A NE GLU 243.A OE2 no hydrogen 3.367 N/A ARG 241.A NH1 ASP 719.A OD2 no hydrogen 3.253 N/A ARG 241.A NH2 GLU 243.A OE2 no hydrogen 3.012 N/A ARG 241.A NH2 ASP 719.A OD2 no hydrogen 2.702 N/A ASP 242.A N GLY 721.A O no hydrogen 2.931 N/A TYR 244.A OH ASP 242.A OD1 no hydrogen 2.942 N/A LEU 245.A N LEU 236.A O no hydrogen 2.826 N/A ILE 251.A N ASP 204.A O no hydrogen 2.948 N/A LYS 252.A N ALA 202.A O no hydrogen 3.289 N/A LYS 252.A NZ ASP 203.A OD1 no hydrogen 2.796 N/A ASN 253.A N PRO 250.A O no hydrogen 2.941 N/A PHE 254.A N ILE 251.A O no hydrogen 3.286 N/A GLN 255.A N TRP 166.A O no hydrogen 2.997 N/A GLN 255.A NE2 ASP 585.A OD1 no hydrogen 3.076 N/A ARG 258.A N PHE 254.A O no hydrogen 3.076 N/A ARG 258.A NE LYS 252.A O no hydrogen 3.075 N/A ARG 258.A NH1 LYS 170.A O no hydrogen 3.182 N/A ARG 258.A NH2 LYS 170.A O no hydrogen 2.384 N/A ARG 258.A NH2 ASN 253.A OD1 no hydrogen 3.050 N/A GLN 259.A N GLN 255.A O no hydrogen 2.890 N/A CYS 260.A N TRP 256.A O no hydrogen 2.924 N/A CYS 260.A SG TRP 256.A O no hydrogen 3.450 N/A CYS 260.A SG GLU 266.A O no hydrogen 3.805 N/A LEU 261.A N VAL 257.A O no hydrogen 2.928 N/A LYS 262.A N ARG 258.A O no hydrogen 2.837 N/A LYS 262.A NZ GLU 783.A OE2 no hydrogen 2.694 N/A ASN 263.A N GLN 259.A O no hydrogen 2.905 N/A ASN 263.A ND2 GLU 265.A OE2 no hydrogen 2.992 N/A GLY 264.A N LEU 261.A O no hydrogen 3.308 N/A GLU 265.A N CYS 260.A O no hydrogen 2.827 N/A HIS 268.A ND1 HIS 190.A NE2 no hydrogen 2.932 N/A LEU 269.A N VAL 188.A O no hydrogen 2.772 N/A VAL 270.A N ARG 237.A O no hydrogen 2.814 N/A LEU 271.A N HIS 190.A O no hydrogen 2.845 N/A ASP 272.A N VAL 235.A O no hydrogen 2.913 N/A THR 273.A N ASP 272.A OD1 no hydrogen 2.923 N/A ALA 278.A N ASP 276.A OD1 no hydrogen 2.968 N/A LEU 279.A N ASP 276.A O no hydrogen 3.280 N/A ASP 280.A N PRO 277.A O no hydrogen 2.894 N/A GLU 281.A N ALA 278.A O no hydrogen 3.253 N/A TRP 287.A N GLU 285.A OE2 no hydrogen 3.115 N/A LEU 289.A N TRP 71.A O no hydrogen 3.205 N/A VAL 290.A N THR 147.A OG1 no hydrogen 2.876 N/A THR 294.A N ASP 291.A O no hydrogen 3.081 N/A THR 294.A OG1 ASP 291.A O no hydrogen 2.934 N/A THR 294.A OG1 ASP 291.A OD1 no hydrogen 3.368 N/A VAL 296.A N CYS 293.A O no hydrogen 3.115 N/A THR 297.A OG1 LEU 463.A O no hydrogen 2.615 N/A TYR 299.A N GLN 302.A OE1 no hydrogen 3.341 N/A HIS 300.A ND1 SER 317.A OG no hydrogen 2.846 N/A GLU 301.A N GLU 301.A OE1 no hydrogen 2.839 N/A GLN 302.A N TYR 299.A O no hydrogen 3.230 N/A LEU 303.A N TYR 299.A O no hydrogen 3.296 N/A LEU 303.A N HIS 300.A O no hydrogen 3.029 N/A THR 304.A N HIS 300.A O no hydrogen 2.715 N/A THR 304.A OG1 ASP 320.A OD2 no hydrogen 2.939 N/A ILE 305.A N ASP 320.A OD2 no hydrogen 3.072 N/A HIS 306.A N THR 304.A OG1 no hydrogen 3.268 N/A LYS 308.A N ILE 305.A O no hydrogen 3.186 N/A LYS 308.A NZ GLU 301.A O no hydrogen 3.498 N/A GLU 311.A N ASP 309.A OD1 no hydrogen 3.078 N/A SER 312.A N ASP 309.A O no hydrogen 2.724 N/A SER 312.A OG ASP 309.A O no hydrogen 2.575 N/A VAL 313.A N HIS 310.A O no hydrogen 3.152 N/A VAL 316.A N PRO 460.A O no hydrogen 2.937 N/A SER 317.A N LEU 303.A O no hydrogen 3.183 N/A SER 317.A OG HIS 300.A ND1 no hydrogen 2.846 N/A LEU 318.A N ALA 462.A O no hydrogen 2.643 N/A TRP 319.A N SER 317.A OG no hydrogen 3.144 N/A ASP 320.A N SER 317.A O no hydrogen 3.086 N/A CYS 321.A N LEU 318.A O no hydrogen 3.184 N/A CYS 321.A SG SER 317.A O no hydrogen 3.634 N/A PHE 325.A N ILE 382.A O no hydrogen 2.820 N/A ARG 326.A NE ASP 455.A OD1 no hydrogen 3.290 N/A ARG 326.A NE ASP 455.A OD2 no hydrogen 3.031 N/A ARG 326.A NH2 ASP 455.A OD1 no hydrogen 3.096 N/A VAL 327.A N LEU 378.A O no hydrogen 2.942 N/A LYS 328.A N LEU 453.A O no hydrogen 2.895 N/A ILE 329.A N VAL 376.A O no hydrogen 2.874 N/A ARG 330.A N SER 451.A O no hydrogen 2.953 N/A GLY 331.A N SER 451.A O no hydrogen 3.484 N/A ILE 332.A N VAL 372.A O no hydrogen 2.926 N/A ILE 334.A N GLU 370.A O no hydrogen 2.835 N/A THR 344.A N GLY 400.A O no hydrogen 2.871 N/A THR 344.A OG1 GLY 400.A O no hydrogen 3.275 N/A VAL 345.A N LYS 366.A O no hydrogen 2.771 N/A PHE 346.A N TYR 398.A O no hydrogen 2.943 N/A VAL 347.A N THR 363.A OG1 no hydrogen 2.994 N/A GLU 348.A N GLN 396.A O no hydrogen 2.855 N/A ALA 349.A N ARG 361.A O no hydrogen 2.812 N/A ASN 350.A N ASN 394.A O no hydrogen 2.908 N/A ASN 350.A ND2 GLU 348.A OE2 no hydrogen 3.388 N/A ASN 350.A ND2 ASN 394.A OD1 no hydrogen 3.262 N/A ILE 351.A N CYS 359.A O no hydrogen 3.103 N/A GLN 352.A N LEU 392.A O no hydrogen 2.860 N/A TYR 353.A N GLN 356.A O no hydrogen 2.880 N/A GLN 356.A N TYR 353.A O no hydrogen 2.914 N/A LEU 358.A N ILE 351.A O no hydrogen 2.848 N/A ARG 361.A N ALA 349.A O no hydrogen 2.942 N/A ARG 361.A NE GLU 379.A O no hydrogen 2.908 N/A THR 363.A N VAL 347.A O no hydrogen 3.008 N/A THR 363.A OG1 VAL 347.A O no hydrogen 3.448 N/A LYS 366.A N VAL 345.A O no hydrogen 3.045 N/A LYS 366.A NZ LEU 373.A O no hydrogen 2.224 N/A PHE 368.A N LEU 343.A O no hydrogen 2.739 N/A THR 369.A OG1 GLU 371.A O no hydrogen 2.473 N/A VAL 372.A N ILE 332.A O no hydrogen 2.862 N/A TRP 374.A N ARG 330.A O no hydrogen 2.965 N/A TRP 374.A NE1 SER 364.A O no hydrogen 2.675 N/A ASN 375.A N ARG 330.A O no hydrogen 3.047 N/A VAL 376.A N ILE 329.A O no hydrogen 2.988 N/A LEU 378.A N VAL 327.A O no hydrogen 2.876 N/A PHE 380.A N PHE 325.A O no hydrogen 2.730 N/A LYS 383.A NZ ASP 322.A OD1 no hydrogen 2.867 N/A ILE 384.A N ARG 323.A O no hydrogen 2.511 N/A LYS 385.A N CYS 321.A O no hydrogen 2.991 N/A LYS 385.A NZ ASP 322.A OD1 no hydrogen 3.478 N/A ASP 386.A N LYS 383.A O no hydrogen 3.095 N/A LEU 387.A N ILE 384.A O no hydrogen 2.991 N/A LYS 389.A NZ GLU 569.A OE1 no hydrogen 2.205 N/A ALA 391.A N PRO 388.A O no hydrogen 3.249 N/A LEU 392.A N GLN 352.A O no hydrogen 2.873 N/A LEU 393.A N LEU 413.A O no hydrogen 2.806 N/A ASN 394.A N ASN 350.A O no hydrogen 2.814 N/A ASN 394.A ND2 ASN 412.A OD1 no hydrogen 2.457 N/A LEU 395.A N VAL 411.A O no hydrogen 2.857 N/A GLN 396.A N GLU 348.A O no hydrogen 2.891 N/A ILE 397.A N TYR 409.A O no hydrogen 2.813 N/A TYR 398.A N PHE 346.A O no hydrogen 2.964 N/A TYR 398.A OH GLN 396.A OE1 no hydrogen 2.748 N/A CYS 399.A N GLN 406.A O no hydrogen 2.906 N/A CYS 399.A SG THR 344.A O no hydrogen 3.648 N/A CYS 399.A SG GLY 400.A O no hydrogen 4.010 N/A GLY 400.A N THR 344.A O no hydrogen 2.895 N/A ALA 402.A N ASP 342.A O no hydrogen 3.398 N/A GLN 406.A N CYS 399.A O no hydrogen 2.818 N/A LEU 408.A N ILE 397.A O no hydrogen 2.755 N/A TYR 409.A N ILE 397.A O no hydrogen 3.063 N/A TYR 410.A N TRP 432.A O no hydrogen 3.014 N/A VAL 411.A N LEU 395.A O no hydrogen 2.891 N/A ASN 412.A ND2 THR 437.A O no hydrogen 3.151 N/A LEU 413.A N LEU 393.A O no hydrogen 2.898 N/A LEU 415.A N ALA 391.A O no hydrogen 3.000 N/A ASP 417.A N LEU 421.A O no hydrogen 2.877 N/A ARG 419.A N ASP 417.A OD1 no hydrogen 3.054 N/A ARG 419.A NE ASP 417.A OD2 no hydrogen 3.470 N/A ARG 419.A NH2 ASP 417.A OD2 no hydrogen 3.164 N/A PHE 420.A N ASP 417.A O no hydrogen 2.998 N/A LEU 421.A N ASP 417.A OD1 no hydrogen 2.843 N/A LEU 422.A N ILE 461.A O no hydrogen 2.764 N/A ARG 423.A N LEU 415.A O no hydrogen 2.741 N/A HIS 424.A ND1 ASN 456.A OD1 no hydrogen 3.265 N/A GLY 425.A N LEU 454.A O no hydrogen 2.933 N/A TYR 427.A N ILE 452.A O no hydrogen 2.899 N/A LEU 429.A N ILE 450.A O no hydrogen 2.924 N/A MET 431.A N MET 448.A O no hydrogen 2.344 N/A TRP 432.A N TYR 410.A O no hydrogen 2.781 N/A TRP 432.A NE1 ARG 439.A O no hydrogen 3.045 N/A LEU 434.A N LEU 408.A O no hydrogen 3.054 N/A THR 437.A OG1 HIS 639.A O no hydrogen 2.760 N/A ARG 439.A N THR 437.A OG1 no hydrogen 3.146 N/A ARG 439.A NH2 GLN 641.A OE1 no hydrogen 3.230 N/A THR 440.A OG1 HIS 134.A NE2 no hydrogen 3.300 N/A ASN 441.A N HIS 430.A O no hydrogen 2.866 N/A ASN 441.A ND2 MET 431.A O no hydrogen 3.216 N/A ASP 443.A N ASN 441.A OD1 no hydrogen 2.783 N/A LYS 444.A NZ SER 131.A O no hydrogen 2.554 N/A SER 447.A N ASP 443.A O no hydrogen 3.123 N/A SER 447.A OG ASP 443.A O no hydrogen 2.571 N/A ILE 450.A N LEU 429.A O no hydrogen 2.864 N/A SER 451.A N GLY 331.A O no hydrogen 2.887 N/A ILE 452.A N TYR 427.A O no hydrogen 2.890 N/A LEU 453.A N LYS 328.A O no hydrogen 2.900 N/A LEU 454.A N GLY 425.A O no hydrogen 2.811 N/A ALA 462.A N VAL 316.A O no hydrogen 2.911 N/A LEU 463.A N PHE 420.A O no hydrogen 2.711 N/A LYS 465.A N GLY 298.A O no hydrogen 2.793 N/A GLU 473.A N ASP 471.A OD1 no hydrogen 3.128 N/A ARG 483.A N PRO 479.A O no hydrogen 2.765 N/A LYS 484.A N ASN 480.A O no hydrogen 2.891 N/A GLN 485.A N GLN 481.A O no hydrogen 2.942 N/A LEU 486.A N LEU 482.A O no hydrogen 2.862 N/A GLU 487.A N ARG 483.A O no hydrogen 2.904 N/A ALA 488.A N LYS 484.A O no hydrogen 2.895 N/A ILE 489.A N GLN 485.A O no hydrogen 2.913 N/A ILE 490.A N LEU 486.A O no hydrogen 2.886 N/A ALA 491.A N GLU 487.A O no hydrogen 2.913 N/A ALA 491.A N ALA 488.A O no hydrogen 3.199 N/A THR 492.A N ILE 489.A O no hydrogen 3.302 N/A THR 492.A OG1 ILE 489.A O no hydrogen 2.716 N/A LEU 495.A N ASP 493.A OD1 no hydrogen 2.772 N/A ASN 496.A N ASP 493.A O no hydrogen 3.087 N/A THR 499.A N ASP 502.A OD2 no hydrogen 2.977 N/A THR 499.A OG1 GLU 501.A OE1 no hydrogen 3.400 N/A GLU 501.A N GLU 501.A OE1 no hydrogen 2.608 N/A ASP 502.A N THR 499.A OG1 no hydrogen 2.962 N/A LYS 503.A N THR 499.A O no hydrogen 3.018 N/A GLU 504.A N ALA 500.A O no hydrogen 2.921 N/A LEU 505.A N GLU 501.A O no hydrogen 2.900 N/A LEU 506.A N ASP 502.A O no hydrogen 2.870 N/A TRP 507.A N LYS 503.A O no hydrogen 2.919 N/A HIS 508.A N GLU 504.A O no hydrogen 2.886 N/A PHE 509.A N LEU 505.A O no hydrogen 3.042 N/A ARG 510.A N TRP 507.A O no hydrogen 3.278 N/A ARG 510.A NH1 TRP 507.A O no hydrogen 2.946 N/A TYR 511.A OH ASP 471.A OD2 no hydrogen 2.457 N/A SER 513.A N PHE 509.A O no hydrogen 2.936 N/A SER 513.A OG LEU 506.A O no hydrogen 3.563 N/A SER 513.A OG PHE 509.A O no hydrogen 3.214 N/A LEU 514.A N ARG 510.A O no hydrogen 2.899 N/A LYS 515.A N GLU 512.A O no hydrogen 3.088 N/A LYS 515.A NZ GLU 512.A OE1 no hydrogen 2.851 N/A LYS 515.A NZ GLU 512.A OE2 no hydrogen 2.737 N/A ASP 516.A N SER 513.A O no hydrogen 3.097 N/A LYS 518.A N ASP 516.A OD1 no hydrogen 3.022 N/A ALA 519.A N ASP 516.A O no hydrogen 2.931 N/A TYR 520.A N PRO 517.A O no hydrogen 2.909 N/A TYR 520.A OH LEU 514.A O no hydrogen 3.105 N/A LYS 522.A NZ ILE 489.A O no hydrogen 2.428 N/A LYS 522.A NZ ILE 490.A O no hydrogen 2.715 N/A LYS 522.A NZ THR 492.A O no hydrogen 2.668 N/A LYS 522.A NZ THR 492.A OG1 no hydrogen 2.607 N/A LEU 523.A N ALA 519.A O no hydrogen 2.823 N/A PHE 524.A N TYR 520.A O no hydrogen 2.926 N/A SER 525.A N PRO 521.A O no hydrogen 2.942 N/A SER 525.A OG PRO 521.A O no hydrogen 2.669 N/A SER 526.A N LEU 523.A O no hydrogen 2.918 N/A SER 526.A OG LEU 523.A O no hydrogen 2.556 N/A VAL 527.A N PHE 524.A O no hydrogen 3.406 N/A LYS 528.A NZ GLU 504.A OE2 no hydrogen 2.852 N/A GLN 531.A N LYS 528.A O no hydrogen 3.197 N/A GLN 532.A N ASP 386.A OD1 no hydrogen 3.405 N/A VAL 535.A N GLN 531.A O no hydrogen 3.077 N/A ALA 536.A N GLN 532.A O no hydrogen 2.918 N/A LYS 537.A N GLU 533.A O no hydrogen 2.963 N/A LYS 537.A NZ ASP 471.A OD1 no hydrogen 2.937 N/A LYS 537.A NZ ASP 471.A OD2 no hydrogen 2.747 N/A LYS 537.A NZ GLU 473.A OE1 no hydrogen 3.035 N/A THR 538.A N ILE 534.A O no hydrogen 2.879 N/A THR 538.A OG1 ILE 534.A O no hydrogen 2.752 N/A TYR 539.A N VAL 535.A O no hydrogen 2.951 N/A TYR 539.A OH ASP 568.A OD1 no hydrogen 2.437 N/A GLN 540.A N ALA 536.A O no hydrogen 2.953 N/A GLN 540.A NE2 THR 469.A OG1 no hydrogen 2.983 N/A LEU 541.A N LYS 537.A O no hydrogen 2.923 N/A LEU 542.A N THR 538.A O no hydrogen 2.884 N/A ALA 543.A N TYR 539.A O no hydrogen 2.938 N/A LYS 544.A N LEU 541.A O no hydrogen 2.812 N/A ARG 545.A NE ASP 549.A OD1 no hydrogen 3.261 N/A ARG 545.A NH1 LEU 542.A O no hydrogen 2.912 N/A ARG 545.A NH2 GLN 577.A OE1 no hydrogen 3.089 N/A ASP 549.A N ARG 545.A O no hydrogen 3.098 N/A GLN 550.A N GLU 546.A O no hydrogen 2.942 N/A SER 551.A N VAL 547.A O no hydrogen 2.976 N/A SER 551.A N TRP 548.A O no hydrogen 3.325 N/A SER 551.A OG TRP 548.A O no hydrogen 2.770 N/A LEU 557.A N ASP 554.A OD1 no hydrogen 3.180 N/A THR 558.A N ASP 554.A O no hydrogen 3.041 N/A THR 558.A OG1 ASP 554.A O no hydrogen 2.808 N/A MET 559.A N VAL 555.A O no hydrogen 2.910 N/A GLN 560.A N GLY 556.A O no hydrogen 2.880 N/A LEU 561.A N LEU 557.A O no hydrogen 3.052 N/A LEU 562.A N MET 559.A O no hydrogen 2.867 N/A ASP 563.A N GLN 560.A O no hydrogen 3.024 N/A CYS 564.A SG ASP 563.A OD1 no hydrogen 3.511 N/A CYS 564.A SG ASP 563.A OD2 no hydrogen 3.703 N/A ASN 565.A N ASP 563.A OD2 no hydrogen 3.371 N/A PHE 566.A N ASP 563.A O no hydrogen 2.966 N/A ASN 570.A N ASP 568.A OD2 no hydrogen 2.978 N/A VAL 571.A N ASP 568.A OD2 no hydrogen 3.078 N/A ARG 572.A N ASP 568.A O no hydrogen 3.163 N/A ARG 572.A NE GLU 601.A OE2 no hydrogen 2.723 N/A ARG 572.A NH1 LEU 562.A O no hydrogen 2.876 N/A ARG 572.A NH1 ASP 563.A O no hydrogen 3.528 N/A ARG 572.A NH1 PHE 566.A O no hydrogen 2.994 N/A ARG 572.A NH2 LEU 562.A O no hydrogen 3.394 N/A ARG 572.A NH2 GLU 601.A OE2 no hydrogen 2.815 N/A ALA 573.A N GLU 569.A O no hydrogen 2.865 N/A ILE 574.A N ASN 570.A O no hydrogen 2.943 N/A ALA 575.A N VAL 571.A O no hydrogen 3.056 N/A VAL 576.A N ARG 572.A O no hydrogen 2.934 N/A GLN 577.A N ALA 573.A O no hydrogen 2.882 N/A LYS 578.A N ILE 574.A O no hydrogen 2.973 N/A LYS 578.A NZ TRP 548.A O no hydrogen 2.773 N/A LYS 578.A NZ SER 551.A O no hydrogen 2.590 N/A LEU 579.A N ALA 575.A O no hydrogen 2.934 N/A GLU 580.A N VAL 576.A O no hydrogen 2.955 N/A SER 581.A N LYS 578.A O no hydrogen 3.289 N/A SER 581.A OG LYS 578.A O no hydrogen 2.780 N/A LEU 582.A N LEU 579.A O no hydrogen 2.822 N/A VAL 587.A N GLU 583.A O no hydrogen 2.831 N/A LEU 588.A N ASP 584.A O no hydrogen 2.883 N/A HIS 589.A N ASP 585.A O no hydrogen 2.989 N/A HIS 589.A ND1 ASP 585.A O no hydrogen 2.663 N/A TYR 590.A N ASP 586.A O no hydrogen 2.964 N/A TYR 590.A N VAL 587.A O no hydrogen 3.207 N/A GLN 593.A N GLN 593.A OE1 no hydrogen 2.755 N/A GLN 593.A NE2 GLN 777.A OE1 no hydrogen 2.847 N/A LEU 594.A N TYR 590.A O no hydrogen 3.026 N/A VAL 595.A N LEU 591.A O no hydrogen 2.857 N/A GLN 596.A N LEU 592.A O no hydrogen 2.944 N/A GLN 596.A NE2 GLU 633.A OE2 no hydrogen 2.861 N/A ALA 597.A N GLN 593.A O no hydrogen 2.883 N/A VAL 598.A N VAL 595.A O no hydrogen 3.278 N/A LYS 599.A N GLN 596.A O no hydrogen 3.024 N/A LYS 599.A NZ GLN 596.A OE1 no hydrogen 2.918 N/A LYS 599.A NZ GLU 633.A OE1 no hydrogen 2.924 N/A LYS 599.A NZ MET 953.A O no hydrogen 3.560 N/A PHE 600.A N ALA 597.A O no hydrogen 3.088 N/A GLU 601.A N VAL 598.A O no hydrogen 3.102 N/A TYR 603.A OH ILE 416.A O no hydrogen 2.660 N/A TYR 603.A OH ASP 417.A O no hydrogen 3.271 N/A HIS 604.A N GLU 137.A OE2 no hydrogen 2.923 N/A ALA 609.A N SER 606.A OG no hydrogen 3.201 N/A ARG 610.A N SER 606.A O no hydrogen 3.040 N/A ARG 610.A NE ASP 605.A OD1 no hydrogen 2.999 N/A ARG 610.A NH1 ASP 292.A OD1 no hydrogen 2.884 N/A ARG 610.A NH2 ASP 605.A OD2 no hydrogen 2.832 N/A PHE 611.A N ALA 607.A O no hydrogen 2.877 N/A LEU 612.A N LEU 608.A O no hydrogen 2.901 N/A LEU 613.A N ALA 609.A O no hydrogen 2.902 N/A LYS 614.A N ARG 610.A O no hydrogen 2.872 N/A LYS 614.A NZ GLU 580.A OE2 no hydrogen 3.265 N/A ARG 615.A N PHE 611.A O no hydrogen 2.954 N/A ARG 615.A NH2 ASP 584.A OD1 no hydrogen 2.510 N/A GLY 616.A N LEU 612.A O no hydrogen 2.942 N/A LEU 617.A N LEU 613.A O no hydrogen 2.943 N/A ARG 618.A N LYS 614.A O no hydrogen 2.926 N/A ARG 618.A NE GLU 152.A OE1 no hydrogen 2.660 N/A ARG 618.A NH2 GLU 152.A OE1 no hydrogen 3.051 N/A ARG 618.A NH2 GLU 152.A OE2 no hydrogen 2.956 N/A ASN 619.A N ARG 615.A O no hydrogen 3.101 N/A ASN 619.A ND2 ASP 584.A OD2 no hydrogen 2.820 N/A LYS 620.A NZ ASP 280.A OD1 no hydrogen 2.853 N/A LYS 620.A NZ ASP 280.A OD2 no hydrogen 2.945 N/A ARG 621.A N ASN 619.A OD1 no hydrogen 2.744 N/A ILE 622.A N ASN 619.A OD1 no hydrogen 3.261 N/A GLY 623.A N ASN 619.A O no hydrogen 2.868 N/A HIS 624.A N LYS 620.A O no hydrogen 2.859 N/A HIS 624.A NE2 PRO 717.A O no hydrogen 2.666 N/A PHE 625.A N ARG 621.A O no hydrogen 3.057 N/A LEU 626.A N ILE 622.A O no hydrogen 2.831 N/A PHE 627.A N GLY 623.A O no hydrogen 2.837 N/A TRP 628.A N HIS 624.A O no hydrogen 3.105 N/A PHE 629.A N PHE 625.A O no hydrogen 2.934 N/A LEU 630.A N LEU 626.A O no hydrogen 2.935 N/A ARG 631.A N PHE 627.A O no hydrogen 2.947 N/A SER 632.A N TRP 628.A O no hydrogen 2.980 N/A SER 632.A OG SER 802.A OG no hydrogen 3.036 N/A GLU 633.A N PHE 629.A O no hydrogen 3.055 N/A ILE 634.A N LEU 630.A O no hydrogen 2.872 N/A ALA 635.A N ARG 631.A O no hydrogen 2.928 N/A GLN 636.A N SER 632.A O no hydrogen 2.986 N/A GLN 636.A N GLU 633.A O no hydrogen 3.303 N/A GLN 636.A NE2 GLY 804.A O no hydrogen 2.882 N/A SER 637.A N GLU 633.A O no hydrogen 2.920 N/A TYR 640.A N SER 637.A O no hydrogen 3.229 N/A GLN 642.A NE2 TYR 125.A OH no hydrogen 3.370 N/A ARG 643.A NE HIS 604.A ND1 no hydrogen 3.524 N/A ARG 643.A NH1 VAL 598.A O no hydrogen 2.833 N/A ARG 643.A NH1 LYS 599.A O no hydrogen 2.952 N/A PHE 644.A N TYR 640.A O no hydrogen 3.293 N/A ALA 645.A N GLN 641.A O no hydrogen 2.861 N/A VAL 646.A N GLN 642.A O no hydrogen 2.935 N/A ILE 647.A N ARG 643.A O no hydrogen 3.091 N/A LEU 648.A N PHE 644.A O no hydrogen 2.879 N/A GLU 649.A N ALA 645.A O no hydrogen 2.867 N/A ALA 650.A N VAL 646.A O no hydrogen 3.057 N/A TYR 651.A N ILE 647.A O no hydrogen 3.036 N/A LEU 652.A N LEU 648.A O no hydrogen 2.888 N/A ARG 653.A N GLU 649.A O no hydrogen 2.902 N/A ARG 653.A NH2 GLU 649.A OE2 no hydrogen 3.079 N/A GLY 654.A N ALA 650.A O no hydrogen 3.091 N/A GLY 654.A N TYR 651.A O no hydrogen 2.779 N/A CYS 655.A N LEU 652.A O no hydrogen 3.172 N/A CYS 655.A SG TYR 651.A O no hydrogen 3.229 N/A THR 657.A OG1 LEU 279.A O no hydrogen 2.682 N/A ALA 658.A N LEU 279.A O no hydrogen 3.120 N/A LEU 660.A N GLY 656.A O no hydrogen 3.234 N/A HIS 661.A N THR 657.A O no hydrogen 2.908 N/A ASP 662.A N ALA 658.A O no hydrogen 2.959 N/A PHE 663.A N MET 659.A O no hydrogen 2.934 N/A THR 664.A N LEU 660.A O no hydrogen 2.917 N/A THR 664.A OG1 LEU 660.A O no hydrogen 2.765 N/A GLN 665.A N HIS 661.A O no hydrogen 2.989 N/A GLN 666.A N ASP 662.A O no hydrogen 2.984 N/A GLN 666.A NE2 ARG 715.A O no hydrogen 2.931 N/A VAL 667.A N PHE 663.A O no hydrogen 2.944 N/A GLN 668.A N THR 664.A O no hydrogen 2.952 N/A VAL 669.A N GLN 665.A O no hydrogen 2.923 N/A ILE 670.A N GLN 666.A O no hydrogen 2.943 N/A ASP 671.A N VAL 667.A O no hydrogen 2.925 N/A MET 672.A N GLN 668.A O no hydrogen 2.974 N/A LEU 673.A N VAL 669.A O no hydrogen 2.913 N/A GLN 674.A N ILE 670.A O no hydrogen 2.876 N/A GLN 674.A NE2 HIS 765.A NE2 no hydrogen 3.506 N/A LYS 675.A N ASP 671.A O no hydrogen 2.986 N/A VAL 676.A N MET 672.A O no hydrogen 2.982 N/A THR 677.A N LEU 673.A O no hydrogen 2.864 N/A THR 677.A OG1 LEU 673.A O no hydrogen 2.707 N/A ILE 678.A N GLN 674.A O no hydrogen 2.913 N/A ASP 679.A N LYS 675.A O no hydrogen 2.994 N/A ILE 680.A N VAL 676.A O no hydrogen 2.896 N/A LYS 681.A N THR 677.A O no hydrogen 2.894 N/A LYS 681.A NZ HIS 765.A ND1 no hydrogen 3.387 N/A LYS 681.A NZ HIS 765.A O no hydrogen 2.659 N/A SER 682.A N ILE 678.A O no hydrogen 2.950 N/A SER 682.A OG ILE 678.A O no hydrogen 3.422 N/A SER 682.A OG ASP 679.A O no hydrogen 2.602 N/A LEU 683.A N ASP 679.A O no hydrogen 2.986 N/A LEU 683.A N ILE 680.A O no hydrogen 3.284 N/A SER 684.A N LYS 681.A O no hydrogen 3.340 N/A SER 684.A OG GLU 686.A O no hydrogen 3.099 N/A SER 684.A OG ASP 689.A O no hydrogen 2.852 N/A VAL 694.A N SER 691.A OG no hydrogen 3.341 N/A ILE 695.A N SER 691.A O no hydrogen 3.154 N/A SER 696.A N SER 692.A O no hydrogen 2.931 N/A GLN 697.A N GLN 693.A O no hydrogen 2.898 N/A LEU 698.A N VAL 694.A O no hydrogen 2.895 N/A LYS 699.A N ILE 695.A O no hydrogen 2.954 N/A LYS 699.A NZ GLU 730.A O no hydrogen 3.541 N/A GLN 700.A N SER 696.A O no hydrogen 2.902 N/A LYS 701.A N GLN 697.A O no hydrogen 2.890 N/A LYS 701.A NZ ASP 679.A OD2 no hydrogen 2.929 N/A LEU 702.A N LEU 698.A O no hydrogen 2.898 N/A GLU 703.A N LYS 699.A O no hydrogen 2.891 N/A ASN 704.A N GLN 700.A O no hydrogen 2.940 N/A LEU 705.A N LYS 701.A O no hydrogen 2.908 N/A GLN 706.A N LEU 702.A O no hydrogen 2.873 N/A ASN 707.A N GLU 703.A O no hydrogen 2.937 N/A LEU 708.A N ASN 704.A O no hydrogen 2.968 N/A LEU 708.A N LEU 705.A O no hydrogen 3.297 N/A ASN 709.A N LEU 705.A O no hydrogen 2.872 N/A LEU 710.A N LEU 705.A O no hydrogen 2.913 N/A PHE 714.A N ALA 724.A O no hydrogen 2.947 N/A ARG 715.A NE ASP 662.A OD2 no hydrogen 2.775 N/A ARG 715.A NH1 ASP 242.A OD2 no hydrogen 2.783 N/A ARG 715.A NH1 PRO 720.A O no hydrogen 2.871 N/A ARG 715.A NH2 ASP 242.A OD2 no hydrogen 2.647 N/A VAL 716.A N LEU 722.A O no hydrogen 2.920 N/A TYR 718.A OH GLY 760.A O no hydrogen 3.110 N/A ASP 719.A N VAL 716.A O no hydrogen 3.188 N/A GLY 721.A N ASP 719.A OD1 no hydrogen 2.992 N/A LEU 722.A N ASP 719.A O no hydrogen 3.082 N/A ALA 724.A N PHE 714.A O no hydrogen 2.863 N/A GLY 725.A N LYS 747.A O no hydrogen 2.637 N/A LEU 727.A N GLN 706.A OE1 no hydrogen 2.476 N/A VAL 728.A N GLU 745.A O no hydrogen 2.594 N/A GLU 730.A N GLU 730.A OE1 no hydrogen 2.505 N/A LYS 731.A N VAL 728.A O no hydrogen 2.943 N/A CYS 732.A N ILE 729.A O no hydrogen 2.967 N/A CYS 732.A SG VAL 728.A O no hydrogen 3.365 N/A LYS 733.A N TRP 743.A O no hydrogen 2.902 N/A MET 735.A N PRO 741.A O no hydrogen 2.927 N/A SER 737.A N MET 735.A O no hydrogen 2.864 N/A LYS 739.A NZ GLY 766.A O no hydrogen 2.903 N/A LYS 740.A N SER 737.A O no hydrogen 2.863 N/A LYS 740.A NZ SER 684.A OG no hydrogen 2.883 N/A LYS 740.A NZ GLU 686.A O no hydrogen 2.857 N/A LEU 742.A N PHE 763.A O no hydrogen 2.935 N/A TRP 743.A N LYS 733.A O no hydrogen 2.689 N/A TRP 743.A NE1 GLU 745.A OE2 no hydrogen 3.269 N/A LEU 744.A N ILE 761.A O no hydrogen 2.869 N/A PHE 746.A N ILE 759.A O no hydrogen 2.930 N/A LYS 747.A N ALA 726.A O no hydrogen 2.723 N/A CYS 748.A SG GLY 240.A O no hydrogen 3.889 N/A CYS 748.A SG ASP 750.A O no hydrogen 3.935 N/A ALA 749.A N LYS 723.A O no hydrogen 2.868 N/A THR 752.A N ASP 750.A OD1 no hydrogen 2.869 N/A THR 752.A OG1 ASP 750.A OD1 no hydrogen 2.606 N/A THR 752.A OG1 ASP 750.A OD2 no hydrogen 3.168 N/A ALA 753.A N ASP 750.A O no hydrogen 3.183 N/A THR 758.A OG1 GLU 745.A OE1 no hydrogen 2.226 N/A ILE 759.A N PHE 746.A O no hydrogen 2.846 N/A ILE 761.A N LEU 744.A O no hydrogen 2.881 N/A ILE 762.A N ILE 810.A O no hydrogen 2.863 N/A PHE 763.A N LEU 742.A O no hydrogen 2.864 N/A LYS 764.A N GLY 808.A O no hydrogen 2.914 N/A LYS 764.A NZ ASP 767.A OD2 no hydrogen 2.989 N/A GLY 766.A N LYS 806.A O no hydrogen 2.596 N/A ASP 767.A N LYS 806.A O no hydrogen 3.090 N/A ARG 770.A N ASP 768.A OD1 no hydrogen 3.150 N/A ARG 770.A NE ASP 768.A OD1 no hydrogen 3.131 N/A ARG 770.A NE ASP 768.A OD2 no hydrogen 3.182 N/A ARG 770.A NH1 THR 954.A O no hydrogen 2.886 N/A ARG 770.A NH2 ASP 768.A OD2 no hydrogen 2.784 N/A ARG 770.A NH2 THR 954.A O no hydrogen 3.434 N/A GLN 771.A NE2 PHE 896.A O no hydrogen 2.604 N/A MET 773.A N LEU 769.A O no hydrogen 2.935 N/A LEU 774.A N ARG 770.A O no hydrogen 2.924 N/A ILE 775.A N GLN 771.A O no hydrogen 3.010 N/A LEU 776.A N ASP 772.A O no hydrogen 2.926 N/A GLN 777.A N MET 773.A O no hydrogen 2.909 N/A GLN 777.A NE2 HIS 589.A O no hydrogen 2.674 N/A GLN 777.A NE2 GLN 593.A OE1 no hydrogen 2.784 N/A ILE 778.A N LEU 774.A O no hydrogen 2.894 N/A LEU 779.A N ILE 775.A O no hydrogen 2.873 N/A ARG 780.A N LEU 776.A O no hydrogen 2.977 N/A ARG 780.A NH2 TYR 798.A O no hydrogen 3.120 N/A ILE 781.A N GLN 777.A O no hydrogen 2.971 N/A MET 782.A N ILE 778.A O no hydrogen 2.864 N/A GLU 783.A N LEU 779.A O no hydrogen 2.887 N/A SER 784.A N ARG 780.A O no hydrogen 2.968 N/A ILE 785.A N ILE 781.A O no hydrogen 2.930 N/A TRP 786.A N MET 782.A O no hydrogen 2.865 N/A TRP 786.A NE1 ALA 933.A O no hydrogen 3.021 N/A GLU 787.A N GLU 783.A O no hydrogen 2.818 N/A THR 788.A N SER 784.A O no hydrogen 2.969 N/A THR 788.A OG1 SER 784.A O no hydrogen 3.004 N/A SER 790.A N GLU 787.A O no hydrogen 2.948 N/A LEU 791.A N TRP 786.A O no hydrogen 2.835 N/A CYS 794.A N ASP 792.A OD1 no hydrogen 2.866 N/A CYS 794.A SG ASP 792.A O no hydrogen 4.045 N/A CYS 794.A SG ASP 792.A OD1 no hydrogen 3.688 N/A CYS 794.A SG ASP 792.A OD2 no hydrogen 3.916 N/A LEU 796.A N TYR 866.A OH no hydrogen 3.419 N/A GLY 799.A N GLU 811.A OE1 no hydrogen 2.902 N/A ILE 801.A N MET 809.A O no hydrogen 3.009 N/A SER 802.A OG SER 632.A OG no hydrogen 3.036 N/A THR 803.A N ILE 807.A O no hydrogen 2.678 N/A THR 803.A OG1 ILE 807.A O no hydrogen 2.875 N/A GLY 808.A N LYS 764.A O no hydrogen 2.949 N/A MET 809.A N ILE 801.A O no hydrogen 2.926 N/A ILE 810.A N ILE 762.A O no hydrogen 2.891 N/A GLU 811.A N GLY 799.A O no hydrogen 2.733 N/A ILE 812.A N GLY 760.A O no hydrogen 3.043 N/A LYS 814.A NZ GLU 757.A OE1 no hydrogen 2.829 N/A LYS 814.A NZ THR 758.A O no hydrogen 2.999 N/A THR 817.A N ILE 885.A O no hydrogen 2.892 N/A ILE 819.A N ILE 883.A O no hydrogen 2.981 N/A ALA 820.A N ASN 880.A O no hydrogen 2.985 N/A LYS 821.A N THR 818.A OG1 no hydrogen 3.281 N/A ILE 822.A N THR 818.A O no hydrogen 3.216 N/A GLN 823.A N ILE 819.A O no hydrogen 2.948 N/A GLN 823.A NE2 ASP 907.A OD2 no hydrogen 3.264 N/A GLN 824.A N ALA 820.A O no hydrogen 2.885 N/A SER 825.A N LYS 821.A O no hydrogen 2.840 N/A SER 825.A OG LYS 821.A O no hydrogen 3.209 N/A SER 825.A OG ILE 822.A O no hydrogen 2.876 N/A THR 826.A N ILE 822.A O no hydrogen 3.024 N/A THR 826.A OG1 ILE 822.A O no hydrogen 2.990 N/A VAL 827.A N GLN 823.A O no hydrogen 3.487 N/A GLY 828.A N GLN 824.A O no hydrogen 2.870 N/A THR 830.A OG1 VAL 827.A O no hydrogen 3.301 N/A GLY 831.A N GLY 828.A O no hydrogen 3.042 N/A PHE 833.A N THR 830.A O no hydrogen 3.050 N/A LYS 834.A N GLY 831.A O no hydrogen 3.046 N/A GLU 836.A N GLU 836.A OE1 no hydrogen 2.632 N/A VAL 837.A N LYS 834.A O no hydrogen 3.276 N/A HIS 840.A N GLU 836.A O no hydrogen 2.917 N/A TRP 841.A N VAL 837.A O no hydrogen 2.901 N/A LEU 842.A N LEU 838.A O no hydrogen 2.947 N/A LYS 843.A N SER 839.A O no hydrogen 2.897 N/A GLU 844.A N HIS 840.A O no hydrogen 2.880 N/A LYS 845.A N TRP 841.A O no hydrogen 2.939 N/A LYS 845.A NZ GLU 887.A OE2 no hydrogen 2.855 N/A CYS 846.A N LEU 842.A O no hydrogen 2.841 N/A CYS 846.A SG LYS 851.A O no hydrogen 3.800 N/A CYS 846.A SG GLU 887.A O no hydrogen 3.448 N/A GLU 850.A N GLU 850.A OE1 no hydrogen 2.698 N/A PHE 852.A N ILE 848.A O no hydrogen 2.702 N/A GLN 853.A N GLU 849.A O no hydrogen 2.897 N/A GLN 853.A NE2 GLU 849.A OE2 no hydrogen 2.730 N/A ALA 854.A N GLU 850.A O no hydrogen 2.957 N/A ALA 855.A N LYS 851.A O no hydrogen 2.885 N/A VAL 856.A N PHE 852.A O no hydrogen 2.891 N/A GLU 857.A N GLN 853.A O no hydrogen 2.914 N/A ARG 858.A N ALA 854.A O no hydrogen 2.914 N/A ARG 858.A NH1 THR 888.A O no hydrogen 3.372 N/A PHE 859.A N ALA 855.A O no hydrogen 2.846 N/A VAL 860.A N VAL 856.A O no hydrogen 2.906 N/A TYR 861.A N GLU 857.A O no hydrogen 2.982 N/A SER 862.A N ARG 858.A O no hydrogen 2.901 N/A SER 862.A OG ARG 858.A O no hydrogen 2.852 N/A SER 862.A OG PHE 859.A O no hydrogen 3.198 N/A CYS 863.A N PHE 859.A O no hydrogen 2.825 N/A ALA 864.A N VAL 860.A O no hydrogen 2.932 N/A GLY 865.A N TYR 861.A O no hydrogen 2.920 N/A TYR 866.A N SER 862.A O no hydrogen 2.892 N/A CYS 867.A N CYS 863.A O no hydrogen 2.816 N/A CYS 867.A SG CYS 863.A O no hydrogen 3.019 N/A CYS 867.A SG VAL 903.A O no hydrogen 3.634 N/A VAL 868.A N ALA 864.A O no hydrogen 2.972 N/A ALA 869.A N GLY 865.A O no hydrogen 2.886 N/A THR 870.A N TYR 866.A O no hydrogen 2.825 N/A THR 870.A OG1 TYR 866.A O no hydrogen 2.610 N/A THR 870.A OG1 CYS 867.A O no hydrogen 3.131 N/A PHE 871.A N CYS 867.A O no hydrogen 2.924 N/A VAL 872.A N VAL 868.A O no hydrogen 2.915 N/A LEU 873.A N ALA 869.A O no hydrogen 2.868 N/A GLY 874.A N PHE 871.A O no hydrogen 3.349 N/A ILE 875.A N THR 870.A O no hydrogen 3.151 N/A GLY 876.A N HIS 898.A O no hydrogen 2.954 N/A ARG 878.A NE GLY 876.A O no hydrogen 2.685 N/A ARG 878.A NH1 HIS 893.A ND1 no hydrogen 3.520 N/A ARG 878.A NH1 ILE 894.A O no hydrogen 3.011 N/A ARG 878.A NH2 GLY 876.A O no hydrogen 2.952 N/A ARG 878.A NH2 ILE 894.A O no hydrogen 3.519 N/A ARG 878.A NH2 ASP 895.A O no hydrogen 2.523 N/A HIS 879.A N ASP 877.A O no hydrogen 2.967 N/A ASN 880.A ND2 GLN 823.A OE1 no hydrogen 2.965 N/A ASN 882.A N HIS 879.A O no hydrogen 2.858 N/A ASN 882.A ND2 ASP 877.A O no hydrogen 3.020 N/A MET 884.A N PHE 892.A O no hydrogen 2.893 N/A ILE 885.A N THR 817.A O no hydrogen 2.907 N/A SER 886.A N ASN 890.A O no hydrogen 2.919 N/A SER 886.A OG THR 888.A OG1 no hydrogen 3.070 N/A SER 886.A OG ASN 890.A OD1 no hydrogen 3.052 N/A GLU 887.A N ASP 815.A O no hydrogen 2.772 N/A THR 888.A OG1 SER 886.A OG no hydrogen 3.070 N/A THR 888.A OG1 ASN 890.A OD1 no hydrogen 3.094 N/A GLY 889.A N SER 886.A O no hydrogen 2.885 N/A ASN 890.A N SER 886.A OG no hydrogen 2.782 N/A ASN 890.A ND2 CYS 794.A O no hydrogen 3.078 N/A LEU 891.A N SER 862.A OG no hydrogen 2.821 N/A PHE 892.A N MET 884.A O no hydrogen 2.938 N/A ILE 894.A N ASN 882.A O no hydrogen 2.948 N/A PHE 896.A N ASP 772.A OD2 no hydrogen 3.025 N/A GLY 897.A N ASP 895.A OD1 no hydrogen 3.179 N/A THR 905.A OG1 ASP 907.A OD1 no hydrogen 2.502 N/A PHE 908.A N ASP 907.A OD1 no hydrogen 2.820 N/A LEU 909.A N THR 905.A O no hydrogen 2.943 N/A PHE 910.A N PRO 906.A O no hydrogen 2.860 N/A VAL 911.A N ASP 907.A O no hydrogen 2.984 N/A MET 912.A N PHE 908.A O no hydrogen 3.183 N/A GLY 913.A N PHE 910.A O no hydrogen 2.885 N/A THR 914.A N LEU 909.A O no hydrogen 2.953 N/A THR 914.A OG1 LEU 909.A O no hydrogen 2.618 N/A LYS 917.A NZ ASP 994.A OD1 no hydrogen 2.892 N/A LYS 918.A N SER 915.A O no hydrogen 3.430 N/A SER 920.A OG MET 912.A O no hydrogen 2.523 N/A PHE 923.A N SER 920.A OG no hydrogen 2.934 N/A GLN 924.A N SER 920.A O no hydrogen 2.882 N/A LYS 925.A N LEU 921.A O no hydrogen 2.930 N/A LYS 925.A NZ GLU 857.A OE2 no hydrogen 2.683 N/A PHE 926.A N HIS 922.A O no hydrogen 2.852 N/A GLN 927.A N PHE 923.A O no hydrogen 2.907 N/A ASP 928.A N GLN 924.A O no hydrogen 2.932 N/A VAL 929.A N LYS 925.A O no hydrogen 2.887 N/A CYS 930.A N PHE 926.A O no hydrogen 2.867 N/A CYS 930.A SG ALA 864.A O no hydrogen 3.996 N/A CYS 930.A SG PHE 926.A O no hydrogen 3.225 N/A VAL 931.A N GLN 927.A O no hydrogen 2.930 N/A LYS 932.A N ASP 928.A O no hydrogen 2.946 N/A ALA 933.A N VAL 929.A O no hydrogen 2.936 N/A TYR 934.A N CYS 930.A O no hydrogen 2.904 N/A TYR 934.A OH ALA 971.A O no hydrogen 3.090 N/A TYR 934.A OH THR 973.A OG1 no hydrogen 3.002 N/A LEU 935.A N VAL 931.A O no hydrogen 2.932 N/A ALA 936.A N LYS 932.A O no hydrogen 2.905 N/A LEU 937.A N ALA 933.A O no hydrogen 2.970 N/A ARG 938.A N TYR 934.A O no hydrogen 2.870 N/A ARG 938.A NE LEU 972.A O no hydrogen 3.150 N/A ARG 938.A NH2 THR 973.A O no hydrogen 3.089 N/A HIS 939.A N LEU 935.A O no hydrogen 2.959 N/A HIS 939.A NE2 GLU 978.A OE1 no hydrogen 3.056 N/A HIS 940.A N LEU 937.A O no hydrogen 2.832 N/A HIS 940.A ND1 ALA 936.A O no hydrogen 2.869 N/A THR 941.A N ARG 938.A O no hydrogen 3.375 N/A THR 941.A OG1 ARG 938.A O no hydrogen 2.663 N/A LEU 944.A N HIS 940.A O no hydrogen 3.094 N/A ILE 945.A N THR 941.A O no hydrogen 2.915 N/A ILE 946.A N ASN 942.A O no hydrogen 2.954 N/A LEU 947.A N LEU 943.A O no hydrogen 2.952 N/A PHE 948.A N LEU 944.A O no hydrogen 3.085 N/A SER 949.A N ILE 945.A O no hydrogen 2.927 N/A SER 949.A OG ILE 945.A O no hydrogen 2.792 N/A MET 950.A N ILE 946.A O no hydrogen 2.987 N/A MET 951.A N PHE 948.A O no hydrogen 2.937 N/A LEU 952.A N SER 949.A O no hydrogen 3.222 N/A THR 954.A N MET 951.A O no hydrogen 3.191 N/A THR 954.A OG1 MET 951.A O no hydrogen 2.848 N/A LEU 959.A N MET 956.A O no hydrogen 3.203 N/A THR 960.A N ASP 964.A OD2 no hydrogen 2.998 N/A THR 960.A OG1 ASP 964.A OD2 no hydrogen 3.186 N/A SER 961.A N ASP 964.A OD2 no hydrogen 3.126 N/A SER 961.A OG GLU 963.A OE1 no hydrogen 2.533 N/A GLU 963.A N GLU 963.A OE1 no hydrogen 2.567 N/A ASP 964.A N SER 961.A O no hydrogen 3.130 N/A GLU 966.A N LYS 962.A O no hydrogen 2.956 N/A TYR 967.A N ASP 964.A O no hydrogen 3.372 N/A TYR 967.A OH PHE 871.A O no hydrogen 3.192 N/A ILE 968.A N ILE 965.A O no hydrogen 2.927 N/A ARG 969.A NE ASP 970.A OD1 no hydrogen 3.563 N/A ARG 969.A NH1 GLU 966.A OE2 no hydrogen 3.129 N/A ASP 970.A N GLU 966.A O no hydrogen 2.951 N/A ALA 971.A N TYR 967.A O no hydrogen 2.847 N/A LEU 972.A N ILE 968.A O no hydrogen 3.042 N/A THR 973.A N ASP 970.A O no hydrogen 3.100 N/A THR 973.A OG1 TYR 934.A OH no hydrogen 3.002 N/A THR 973.A OG1 LEU 972.A O no hydrogen 2.545 N/A VAL 974.A N ARG 969.A O no hydrogen 3.272 N/A LYS 976.A N THR 973.A O no hydrogen 3.258 N/A SER 977.A OG ASP 980.A OD2 no hydrogen 2.656 N/A GLU 979.A N GLU 979.A OE1 no hydrogen 2.656 N/A ASP 980.A N SER 977.A OG no hydrogen 3.024 N/A ALA 981.A N SER 977.A O no hydrogen 2.959 N/A LYS 982.A N GLU 978.A O no hydrogen 2.927 N/A LYS 983.A N GLU 979.A O no hydrogen 2.949 N/A TYR 984.A N ASP 980.A O no hydrogen 2.866 N/A PHE 985.A N ALA 981.A O no hydrogen 2.966 N/A LEU 986.A N LYS 982.A O no hydrogen 2.974 N/A ASP 987.A N LYS 983.A O no hydrogen 2.890 N/A GLN 988.A N TYR 984.A O no hydrogen 2.954 N/A GLN 988.A NE2 TYR 984.A O no hydrogen 3.321 N/A ILE 989.A N PHE 985.A O no hydrogen 2.941 N/A GLU 990.A N LEU 986.A O no hydrogen 2.968 N/A VAL 991.A N ASP 987.A O no hydrogen 2.876 N/A CYS 992.A N GLN 988.A O no hydrogen 2.961 N/A CYS 992.A SG PHE 902.A O no hydrogen 3.266 N/A CYS 992.A SG GLN 988.A O no hydrogen 3.170 N/A ARG 993.A N ILE 989.A O no hydrogen 2.914 N/A ARG 993.A NH2 GLY 916.A O no hydrogen 3.548 N/A ASP 994.A N GLU 990.A O no hydrogen 2.920 N/A LYS 995.A N VAL 991.A O no hydrogen 2.997 N/A