Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6i3p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N SER 1.A O no hydrogen 3.156 N/A ARG 6.A N ILE 2.A O no hydrogen 3.381 N/A ARG 6.A NE GLN 41.A OE1 no hydrogen 2.940 N/A ARG 6.A NH1 GLN 41.A OE1 no hydrogen 2.796 N/A ARG 6.A NH2 GLU 48.A OE2 no hydrogen 3.345 N/A GLU 7.A N LYS 3.A O no hydrogen 2.962 N/A SER 8.A N GLU 4.A O no hydrogen 2.916 N/A SER 8.A OG GLN 5.A O no hydrogen 2.527 N/A LEU 9.A N GLN 5.A O no hydrogen 3.501 N/A PHE 12.A N LEU 9.A O no hydrogen 3.316 N/A GLN 13.A N PRO 10.A O no hydrogen 2.721 N/A PHE 14.A N VAL 11.A O no hydrogen 3.167 N/A ARG 15.A N PHE 12.A O no hydrogen 3.134 N/A ARG 15.A NH1 ASP 16.A OD1 no hydrogen 3.501 N/A ARG 15.A NH2 GLU 48.A OE1 no hydrogen 3.174 N/A GLN 17.A NE2 GLN 13.A O no hydrogen 3.414 N/A ILE 18.A N PHE 14.A O no hydrogen 2.726 N/A ILE 19.A N ARG 15.A O no hydrogen 3.348 N/A GLN 20.A N ASP 16.A O no hydrogen 3.094 N/A ALA 21.A N GLN 17.A O no hydrogen 2.843 N/A VAL 22.A N ILE 18.A O no hydrogen 2.836 N/A LYS 23.A N ILE 19.A O no hydrogen 2.963 N/A ASP 24.A N GLN 20.A O no hydrogen 2.764 N/A ASN 25.A N ALA 21.A O no hydrogen 3.084 N/A LEU 28.A N VAL 157.A O no hydrogen 2.874 N/A ILE 29.A N PRO 177.A O no hydrogen 3.269 N/A VAL 30.A N VAL 159.A O no hydrogen 3.019 N/A VAL 31.A N PHE 179.A O no hydrogen 2.720 N/A SER 36.A N GLU 33.A O no hydrogen 3.130 N/A SER 36.A OG GLU 33.A O no hydrogen 3.005 N/A LYS 38.A N SER 36.A OG no hydrogen 3.196 N/A LYS 38.A NZ ASP 129.A OD1 no hydrogen 2.645 N/A THR 39.A OG1 ASP 129.A OD2 no hydrogen 2.808 N/A THR 40.A N GLY 37.A O no hydrogen 3.229 N/A THR 40.A OG1 GLY 37.A O no hydrogen 3.394 N/A GLN 41.A NE2 THR 40.A OG1 no hydrogen 3.414 N/A VAL 42.A N LYS 38.A O no hydrogen 3.204 N/A THR 43.A OG1 THR 39.A O no hydrogen 3.272 N/A THR 43.A OG1 TYR 104.A OH no hydrogen 2.987 N/A GLN 44.A NE2 THR 40.A O no hydrogen 2.990 N/A GLN 44.A NE2 GLU 77.A OE1 no hydrogen 2.636 N/A TYR 45.A N GLN 41.A O no hydrogen 2.852 N/A LEU 46.A N VAL 42.A O no hydrogen 3.136 N/A ALA 47.A N THR 43.A O no hydrogen 3.376 N/A GLU 48.A N GLN 44.A O no hydrogen 2.758 N/A ALA 49.A N TYR 45.A O no hydrogen 2.972 N/A ALA 49.A N LEU 46.A O no hydrogen 3.219 N/A PHE 51.A N LEU 46.A O no hydrogen 2.964 N/A LYS 53.A N GLY 50.A O no hydrogen 3.439 N/A LYS 53.A NZ GLY 50.A O no hydrogen 3.476 N/A MET 56.A N ARG 122.A O no hydrogen 2.879 N/A ILE 57.A N LYS 101.A O no hydrogen 2.948 N/A GLY 58.A N VAL 125.A O no hydrogen 2.982 N/A CYS 59.A N LYS 103.A O no hydrogen 2.938 N/A CYS 59.A SG THR 60.A O no hydrogen 3.604 N/A CYS 59.A SG GLN 61.A OE1 no hydrogen 3.769 N/A CYS 59.A SG MET 127.A O no hydrogen 3.934 N/A THR 60.A N MET 127.A O no hydrogen 2.887 N/A THR 60.A OG1 MET 127.A O no hydrogen 3.563 N/A GLN 61.A N MET 105.A O no hydrogen 2.581 N/A ARG 64.A NH2 ARG 91.A O no hydrogen 2.500 N/A ALA 67.A N ARG 63.A O no hydrogen 3.252 N/A VAL 68.A N ARG 64.A O no hydrogen 3.131 N/A SER 69.A N VAL 65.A O no hydrogen 2.914 N/A SER 69.A OG VAL 65.A O no hydrogen 2.742 N/A VAL 70.A N ALA 66.A O no hydrogen 3.120 N/A ALA 71.A N ALA 67.A O no hydrogen 3.231 N/A LYS 72.A N VAL 68.A O no hydrogen 2.938 N/A ARG 73.A N SER 69.A O no hydrogen 3.044 N/A VAL 74.A N VAL 70.A O no hydrogen 2.798 N/A ALA 75.A N ALA 71.A O no hydrogen 2.960 N/A GLU 76.A N LYS 72.A O no hydrogen 3.051 N/A GLU 77.A N ARG 73.A O no hydrogen 2.786 N/A VAL 78.A N VAL 74.A O no hydrogen 2.804 N/A GLY 79.A N GLU 76.A O no hydrogen 3.168 N/A CYS 80.A N ALA 75.A O no hydrogen 3.066 N/A CYS 80.A SG ALA 75.A O no hydrogen 4.028 N/A CYS 80.A SG GLN 81.A O no hydrogen 3.658 N/A GLY 83.A N VAL 86.A O no hydrogen 2.998 N/A GLN 84.A N GLN 81.A O no hydrogen 3.017 N/A GLY 87.A N ILE 102.A O no hydrogen 2.893 N/A TYR 88.A N VAL 95.A O no hydrogen 3.025 N/A TYR 88.A OH GLU 93.A OE2 no hydrogen 2.638 N/A THR 89.A N TYR 104.A O no hydrogen 2.925 N/A THR 89.A OG1 ASP 94.A OD1 no hydrogen 2.705 N/A ILE 90.A N GLU 93.A O no hydrogen 2.995 N/A ARG 91.A NE GLN 525.A OE1 no hydrogen 2.706 N/A ARG 91.A NH2 GLN 525.A OE1 no hydrogen 2.911 N/A GLU 93.A N ILE 90.A O no hydrogen 3.153 N/A THR 96.A OG1 ASP 94.A OD1 no hydrogen 2.633 N/A SER 97.A N THR 100.A OG1 no hydrogen 2.734 N/A SER 97.A OG GLY 83.A O no hydrogen 2.584 N/A SER 97.A OG GLN 84.A OE1 no hydrogen 3.253 N/A SER 97.A OG THR 100.A OG1 no hydrogen 3.393 N/A THR 100.A N SER 97.A O no hydrogen 2.829 N/A THR 100.A OG1 GLY 83.A O no hydrogen 3.164 N/A THR 100.A OG1 GLN 84.A O no hydrogen 3.006 N/A THR 100.A OG1 SER 97.A O no hydrogen 2.710 N/A THR 100.A OG1 SER 97.A OG no hydrogen 3.393 N/A LYS 101.A N GLU 85.A O no hydrogen 2.801 N/A ILE 102.A N GLU 85.A O no hydrogen 2.875 N/A LYS 103.A N ILE 57.A O no hydrogen 2.769 N/A LYS 103.A NZ GLU 113.A OE2 no hydrogen 3.066 N/A LYS 103.A NZ TYR 123.A OH no hydrogen 2.803 N/A TYR 104.A N GLY 87.A O no hydrogen 3.069 N/A TYR 104.A OH THR 39.A O no hydrogen 2.554 N/A TYR 104.A OH THR 43.A OG1 no hydrogen 2.987 N/A MET 105.A N CYS 59.A O no hydrogen 2.835 N/A ASP 107.A N GLN 61.A O no hydrogen 3.092 N/A GLY 108.A N ASP 107.A OD1 no hydrogen 2.698 N/A MET 109.A N THR 106.A O no hydrogen 2.972 N/A LEU 110.A N THR 106.A O no hydrogen 3.317 N/A GLN 111.A N ASP 107.A O no hydrogen 2.939 N/A ARG 112.A N GLY 108.A O no hydrogen 3.101 N/A ARG 112.A NH2 ALA 425.A O no hydrogen 3.367 N/A ARG 112.A NH2 ASP 426.A O no hydrogen 3.376 N/A GLU 113.A N MET 109.A O no hydrogen 3.013 N/A GLU 113.A N LEU 110.A O no hydrogen 3.160 N/A ILE 114.A N LEU 110.A O no hydrogen 2.934 N/A ASP 117.A N GLU 113.A O no hydrogen 3.111 N/A LEU 120.A N ASP 117.A O no hydrogen 2.871 N/A LYS 121.A N ASP 117.A OD2 no hydrogen 3.091 N/A TYR 123.A N LEU 120.A O no hydrogen 3.251 N/A TYR 123.A OH GLU 113.A OE1 no hydrogen 2.498 N/A SER 124.A N MET 56.A O no hydrogen 2.824 N/A SER 124.A OG PHE 51.A O no hydrogen 2.986 N/A SER 124.A OG MET 56.A O no hydrogen 3.318 N/A VAL 125.A N MET 56.A O no hydrogen 3.333 N/A ILE 126.A N LYS 156.A O no hydrogen 2.839 N/A MET 127.A N GLY 58.A O no hydrogen 2.745 N/A LEU 128.A N ILE 158.A O no hydrogen 2.627 N/A ASP 129.A N THR 60.A OG1 no hydrogen 3.227 N/A GLU 130.A N ASP 129.A OD1 no hydrogen 2.754 N/A ALA 131.A N THR 160.A OG1 no hydrogen 3.260 N/A GLU 133.A N GLU 130.A O no hydrogen 3.264 N/A ARG 134.A N ALA 131.A O no hydrogen 3.168 N/A ARG 134.A NE ASP 139.A OD1 no hydrogen 2.690 N/A ARG 134.A NH1 ASP 391.A OD2 no hydrogen 3.025 N/A ARG 134.A NH2 ASP 139.A OD1 no hydrogen 3.286 N/A ARG 134.A NH2 ASP 391.A OD2 no hydrogen 2.463 N/A THR 135.A OG1 ASP 107.A OD2 no hydrogen 2.514 N/A THR 135.A OG1 THR 138.A OG1 no hydrogen 2.771 N/A THR 138.A N THR 135.A OG1 no hydrogen 3.220 N/A THR 138.A OG1 ASP 107.A OD2 no hydrogen 2.945 N/A THR 138.A OG1 THR 135.A OG1 no hydrogen 2.771 N/A ASP 139.A N THR 135.A O no hydrogen 3.003 N/A VAL 140.A N ILE 136.A O no hydrogen 2.894 N/A LEU 141.A N ALA 137.A O no hydrogen 2.875 N/A PHE 142.A N THR 138.A O no hydrogen 2.960 N/A LEU 144.A N VAL 140.A O no hydrogen 2.996 N/A LEU 145.A N LEU 141.A O no hydrogen 2.826 N/A LYS 146.A N PHE 142.A O no hydrogen 3.151 N/A LYS 146.A NZ TYR 172.A O no hydrogen 2.626 N/A LYS 146.A NZ ASP 388.A OD2 no hydrogen 3.092 N/A LYS 147.A N ALA 143.A O no hydrogen 3.181 N/A THR 148.A N LEU 144.A O no hydrogen 2.928 N/A THR 148.A OG1 PRO 118.A O no hydrogen 3.338 N/A THR 148.A OG1 LEU 144.A O no hydrogen 2.571 N/A VAL 149.A N LEU 145.A O no hydrogen 2.930 N/A ARG 151.A NE ASP 119.A OD1 no hydrogen 2.659 N/A ARG 151.A NH2 ASP 119.A OD1 no hydrogen 2.636 N/A ARG 152.A N THR 148.A O no hydrogen 2.797 N/A ARG 152.A NE ASP 154.A OD1 no hydrogen 3.253 N/A ARG 152.A NH1 ASP 119.A O no hydrogen 2.741 N/A ARG 152.A NH1 LEU 120.A O no hydrogen 2.429 N/A ARG 152.A NH1 TYR 123.A O no hydrogen 3.528 N/A ARG 152.A NH2 TYR 123.A O no hydrogen 3.066 N/A LYS 156.A N SER 124.A O no hydrogen 2.990 N/A VAL 157.A N GLN 26.A O no hydrogen 2.707 N/A ILE 158.A N ILE 126.A O no hydrogen 2.820 N/A VAL 159.A N LEU 28.A O no hydrogen 2.963 N/A THR 160.A N LEU 128.A O no hydrogen 3.004 N/A THR 160.A OG1 LEU 128.A O no hydrogen 2.902 N/A THR 160.A OG1 ASP 129.A OD1 no hydrogen 3.535 N/A SER 161.A N VAL 30.A O no hydrogen 2.948 N/A SER 161.A OG ALA 162.A O no hydrogen 2.610 N/A ALA 166.A N THR 163.A O no hydrogen 3.469 N/A LYS 168.A NZ ASP 391.A OD1 no hydrogen 2.547 N/A LYS 168.A NZ ASP 391.A OD2 no hydrogen 3.261 N/A PHE 169.A N ASP 165.A O no hydrogen 2.830 N/A SER 170.A N ALA 166.A O no hydrogen 2.965 N/A SER 170.A OG CYS 176.A O no hydrogen 2.634 N/A GLU 171.A N GLU 167.A O no hydrogen 3.042 N/A TYR 172.A N LYS 168.A O no hydrogen 3.230 N/A TYR 172.A OH ASP 388.A O no hydrogen 2.574 N/A PHE 173.A N PHE 169.A O no hydrogen 2.829 N/A CYS 176.A SG ILE 27.A O no hydrogen 3.130 N/A CYS 176.A SG PHE 173.A O no hydrogen 3.142 N/A PHE 179.A N ILE 29.A O no hydrogen 2.706 N/A ILE 181.A N VAL 31.A O no hydrogen 2.938 N/A GLY 183.A N GLU 33.A OE1 no hydrogen 2.795 N/A ARG 184.A NH1 SER 8.A O no hydrogen 2.964 N/A GLU 189.A N GLY 341.A O no hydrogen 2.869 N/A LEU 191.A N CYS 343.A O no hydrogen 2.903 N/A SER 193.A N TYR 347.A O no hydrogen 3.312 N/A SER 193.A OG ARG 345.A O no hydrogen 3.413 N/A TYR 200.A OH GLU 229.A OE2 no hydrogen 3.134 N/A LEU 201.A N ASP 199.A OD1 no hydrogen 3.268 N/A ALA 203.A N ASP 199.A O no hydrogen 3.088 N/A ALA 204.A N TYR 200.A O no hydrogen 3.126 N/A LEU 205.A N LEU 201.A O no hydrogen 3.051 N/A THR 206.A N GLU 202.A O no hydrogen 2.770 N/A THR 206.A OG1 GLU 202.A O no hydrogen 3.425 N/A THR 206.A OG1 GLU 202.A OE2 no hydrogen 3.175 N/A THR 207.A N ALA 203.A O no hydrogen 2.902 N/A THR 207.A OG1 ALA 203.A O no hydrogen 2.639 N/A VAL 208.A N ALA 204.A O no hydrogen 3.027 N/A MET 209.A N LEU 205.A O no hydrogen 3.108 N/A GLN 210.A N THR 206.A O no hydrogen 2.982 N/A ILE 211.A N THR 207.A O no hydrogen 2.965 N/A HIS 212.A N VAL 208.A O no hydrogen 3.077 N/A HIS 212.A NE2 PRO 249.A O no hydrogen 2.986 N/A LEU 213.A N MET 209.A O no hydrogen 2.972 N/A THR 214.A N GLN 210.A O no hydrogen 2.722 N/A THR 214.A OG1 GLN 210.A O no hydrogen 2.730 N/A GLU 215.A N ILE 211.A O no hydrogen 2.872 N/A ILE 220.A N LYS 278.A O no hydrogen 2.872 N/A LEU 221.A N TYR 297.A O no hydrogen 2.828 N/A VAL 222.A N VAL 280.A O no hydrogen 2.797 N/A PHE 223.A N VAL 299.A O no hydrogen 3.398 N/A LEU 224.A N ALA 282.A O no hydrogen 2.547 N/A THR 225.A OG1 GLU 229.A OE1 no hydrogen 2.902 N/A ILE 230.A N GLY 226.A O no hydrogen 3.063 N/A ASP 231.A N GLN 227.A O no hydrogen 2.909 N/A THR 232.A N GLU 228.A O no hydrogen 3.010 N/A THR 232.A OG1 GLU 228.A O no hydrogen 3.380 N/A ALA 233.A N GLU 229.A O no hydrogen 2.915 N/A CYS 234.A N ILE 230.A O no hydrogen 2.780 N/A CYS 234.A SG ILE 230.A O no hydrogen 3.378 N/A GLU 235.A N ASP 231.A O no hydrogen 3.020 N/A ILE 236.A N THR 232.A O no hydrogen 2.993 N/A LEU 237.A N ALA 233.A O no hydrogen 2.963 N/A TYR 238.A N CYS 234.A O no hydrogen 3.080 N/A GLU 239.A N GLU 235.A O no hydrogen 3.121 N/A ARG 240.A N ILE 236.A O no hydrogen 3.017 N/A ARG 240.A NH1 GLU 202.A OE2 no hydrogen 3.285 N/A ARG 240.A NH2 GLU 202.A OE1 no hydrogen 2.729 N/A ARG 240.A NH2 GLU 202.A OE2 no hydrogen 3.076 N/A MET 241.A N LEU 237.A O no hydrogen 3.016 N/A LYS 242.A N TYR 238.A O no hydrogen 3.070 N/A ALA 243.A N GLU 239.A O no hydrogen 3.086 N/A VAL 248.A N GLY 245.A O no hydrogen 3.305 N/A ILE 252.A N ARG 277.A O no hydrogen 2.854 N/A LEU 254.A N VAL 279.A O no hydrogen 3.003 N/A ILE 256.A N ILE 281.A O no hydrogen 2.959 N/A TYR 257.A OH ASP 231.A OD1 no hydrogen 2.981 N/A TYR 257.A OH ASP 231.A OD2 no hydrogen 3.143 N/A LEU 260.A N TYR 257.A O no hydrogen 2.953 N/A GLU 263.A N GLU 263.A OE1 no hydrogen 2.075 N/A GLN 265.A N PRO 261.A O no hydrogen 2.887 N/A SER 266.A N SER 262.A O no hydrogen 2.971 N/A SER 266.A OG SER 262.A O no hydrogen 2.240 N/A SER 266.A OG GLU 263.A O no hydrogen 3.059 N/A ARG 267.A N GLU 263.A O no hydrogen 3.111 N/A ILE 268.A N GLN 265.A O no hydrogen 3.103 N/A SER 276.A OG PRO 274.A O no hydrogen 3.261 N/A ARG 277.A N GLU 250.A O no hydrogen 3.135 N/A ARG 277.A NH2 GLU 215.A O no hydrogen 2.862 N/A LYS 278.A N ASP 219.A OD1 no hydrogen 3.072 N/A LYS 278.A NZ ILE 268.A O no hydrogen 2.698 N/A LYS 278.A NZ GLU 270.A O no hydrogen 3.334 N/A VAL 279.A N ILE 252.A O no hydrogen 2.758 N/A VAL 280.A N ILE 220.A O no hydrogen 2.811 N/A ILE 281.A N LEU 254.A O no hydrogen 2.969 N/A ALA 282.A N VAL 222.A O no hydrogen 2.682 N/A THR 283.A N ILE 256.A O no hydrogen 3.378 N/A ILE 285.A N THR 283.A OG1 no hydrogen 3.282 N/A ALA 286.A N THR 283.A O no hydrogen 3.468 N/A GLU 287.A N ASN 284.A O no hydrogen 3.093 N/A ILE 290.A N ILE 285.A O no hydrogen 2.807 N/A TYR 294.A N THR 338.A OG1 no hydrogen 2.751 N/A TYR 296.A N ASP 219.A O no hydrogen 3.119 N/A TYR 297.A N ASP 219.A O no hydrogen 3.204 N/A TYR 297.A OH PRO 216.A O no hydrogen 2.616 N/A VAL 298.A N LYS 342.A O no hydrogen 2.988 N/A VAL 299.A N LEU 221.A O no hydrogen 2.881 N/A ASP 300.A N PHE 344.A O no hydrogen 2.604 N/A VAL 304.A N THR 321.A O no hydrogen 2.918 N/A GLN 306.A N VAL 319.A O no hydrogen 2.885 N/A ASN 307.A ND2 ASP 316.A OD2 no hydrogen 3.313 N/A ALA 308.A N SER 317.A O no hydrogen 3.065 N/A TYR 309.A N ARG 366.A O no hydrogen 3.083 N/A ASP 310.A N MET 315.A O no hydrogen 2.841 N/A GLY 314.A N ASP 310.A O no hydrogen 2.729 N/A MET 315.A N ASP 310.A O no hydrogen 3.215 N/A ASP 316.A N LEU 594.A O no hydrogen 3.061 N/A SER 317.A N ALA 308.A O no hydrogen 2.809 N/A LEU 318.A N LEU 596.A O no hydrogen 2.849 N/A VAL 319.A N GLN 306.A O no hydrogen 3.043 N/A THR 321.A N VAL 304.A O no hydrogen 2.854 N/A ILE 323.A N GLY 302.A O no hydrogen 2.965 N/A SER 324.A OG THR 360.A OG1 no hydrogen 2.729 N/A GLN 325.A N LEU 357.A O no hydrogen 2.806 N/A GLN 325.A NE2 TYR 352.A O no hydrogen 3.197 N/A GLN 325.A NE2 MET 356.A O no hydrogen 3.603 N/A ALA 326.A N PRO 358.A O no hydrogen 3.206 N/A GLN 327.A N SER 324.A OG no hydrogen 3.221 N/A GLN 327.A NE2 GLU 287.A OE2 no hydrogen 3.395 N/A ALA 328.A N SER 324.A O no hydrogen 2.870 N/A ASN 329.A N GLN 325.A O no hydrogen 2.878 N/A ASN 329.A ND2 TYR 352.A OH no hydrogen 3.238 N/A GLN 330.A N ALA 326.A O no hydrogen 2.963 N/A GLN 330.A NE2 GLU 287.A O no hydrogen 3.287 N/A ARG 331.A N GLN 327.A O no hydrogen 3.024 N/A ARG 331.A NE GLU 287.A OE2 no hydrogen 2.831 N/A ARG 331.A NH1 ASP 300.A OD1 no hydrogen 2.843 N/A ARG 331.A NH2 PHE 303.A O no hydrogen 2.912 N/A ALA 332.A N ALA 328.A O no hydrogen 3.106 N/A GLY 333.A N ASN 329.A O no hydrogen 3.094 N/A ARG 334.A N ARG 331.A O no hydrogen 3.145 N/A ARG 334.A NH1 ALA 286.A O no hydrogen 3.109 N/A ALA 335.A N ALA 332.A O no hydrogen 3.033 N/A GLY 336.A N GLY 333.A O no hydrogen 3.116 N/A GLY 341.A N PRO 187.A O no hydrogen 3.042 N/A LYS 342.A N TYR 296.A O no hydrogen 2.858 N/A LYS 342.A NZ GLU 189.A OE1 no hydrogen 2.481 N/A CYS 343.A N GLU 189.A O no hydrogen 2.847 N/A CYS 343.A SG VAL 298.A O no hydrogen 3.775 N/A PHE 344.A N VAL 298.A O no hydrogen 2.749 N/A ARG 345.A N LEU 191.A O no hydrogen 2.936 N/A ARG 345.A NH2 ALA 328.A O no hydrogen 3.090 N/A ARG 345.A NH2 ASN 329.A OD1 no hydrogen 3.058 N/A LEU 346.A N ASP 300.A O no hydrogen 3.015 N/A TYR 347.A OH ASP 300.A OD2 no hydrogen 2.303 N/A ALA 351.A N THR 348.A OG1 no hydrogen 3.256 N/A TYR 352.A N THR 348.A O no hydrogen 3.275 N/A GLN 353.A N GLU 349.A O no hydrogen 2.898 N/A SER 354.A N ALA 350.A O no hydrogen 2.478 N/A SER 354.A OG ALA 350.A O no hydrogen 2.658 N/A GLU 355.A N ALA 351.A O no hydrogen 2.797 N/A THR 360.A OG1 SER 324.A OG no hydrogen 2.729 N/A ASP 363.A N ARG 134.A O no hydrogen 3.462 N/A GLN 365.A N PRO 362.A O no hydrogen 3.117 N/A GLN 365.A NE2 PRO 392.A O no hydrogen 2.996 N/A ARG 366.A N ASP 363.A O no hydrogen 3.052 N/A ARG 366.A NE ILE 361.A O no hydrogen 2.824 N/A ARG 366.A NH1 ASN 307.A O no hydrogen 3.197 N/A ARG 366.A NH2 ILE 361.A O no hydrogen 3.308 N/A ILE 373.A N LEU 369.A O no hydrogen 2.807 N/A LEU 374.A N ALA 370.A O no hydrogen 2.983 N/A LEU 375.A N ASN 371.A O no hydrogen 3.229 N/A LEU 376.A N THR 372.A O no hydrogen 3.075 N/A LYS 377.A N ILE 373.A O no hydrogen 2.947 N/A LYS 377.A NZ ASN 382.A O no hydrogen 3.041 N/A LYS 377.A NZ ASN 382.A OD1 no hydrogen 3.040 N/A LYS 377.A NZ GLY 415.A O no hydrogen 3.343 N/A ALA 378.A N LEU 374.A O no hydrogen 2.903 N/A MET 379.A N LEU 375.A O no hydrogen 3.072 N/A GLY 380.A N LYS 377.A O no hydrogen 2.989 N/A ILE 381.A N LEU 376.A O no hydrogen 3.095 N/A LEU 384.A N ASN 382.A O no hydrogen 2.868 N/A ARG 386.A N ASP 383.A O no hydrogen 3.106 N/A ARG 386.A NH2 ASP 383.A OD2 no hydrogen 2.807 N/A PHE 387.A N LEU 384.A O no hydrogen 3.213 N/A PHE 389.A N PHE 387.A O no hydrogen 2.785 N/A MET 398.A N PRO 394.A O no hydrogen 3.305 N/A LEU 399.A N VAL 395.A O no hydrogen 2.977 N/A THR 400.A N ASN 396.A O no hydrogen 2.919 N/A THR 400.A OG1 ASN 396.A O no hydrogen 2.856 N/A THR 400.A OG1 THR 397.A O no hydrogen 2.897 N/A ALA 401.A N THR 397.A O no hydrogen 3.127 N/A LEU 402.A N MET 398.A O no hydrogen 3.008 N/A GLU 403.A N LEU 399.A O no hydrogen 2.867 N/A GLU 404.A N THR 400.A O no hydrogen 2.850 N/A LEU 405.A N ALA 401.A O no hydrogen 3.039 N/A TYR 406.A N LEU 402.A O no hydrogen 2.935 N/A ALA 407.A N GLU 403.A O no hydrogen 2.861 N/A LEU 408.A N GLU 404.A O no hydrogen 3.132 N/A GLY 409.A N TYR 406.A O no hydrogen 2.983 N/A ALA 410.A N LEU 405.A O no hydrogen 2.824 N/A LEU 411.A N LEU 405.A O no hydrogen 3.230 N/A ASP 412.A N LEU 416.A O no hydrogen 3.013 N/A GLY 415.A N ASP 412.A O no hydrogen 3.058 N/A LEU 416.A N ASP 412.A OD1 no hydrogen 2.703 N/A THR 418.A N ALA 410.A O no hydrogen 2.911 N/A THR 418.A OG1 GLY 409.A O no hydrogen 2.585 N/A THR 418.A OG1 ALA 410.A O no hydrogen 3.199 N/A GLY 421.A N THR 418.A OG1 no hydrogen 2.930 N/A ARG 422.A N THR 418.A O no hydrogen 2.953 N/A ARG 422.A NH1 ARG 422.A O no hydrogen 3.164 N/A ARG 422.A NH1 ASP 426.A OD1 no hydrogen 3.338 N/A LYS 423.A N ARG 419.A O no hydrogen 3.164 N/A MET 424.A N LEU 420.A O no hydrogen 2.895 N/A ALA 425.A N GLY 421.A O no hydrogen 3.132 N/A ASP 426.A N LYS 423.A O no hydrogen 3.238 N/A PHE 427.A N MET 424.A O no hydrogen 3.153 N/A MET 429.A N PHE 427.A O no hydrogen 3.193 N/A LEU 433.A N GLU 430.A O no hydrogen 2.942 N/A SER 434.A N GLU 430.A O no hydrogen 3.445 N/A SER 434.A OG PRO 431.A O no hydrogen 2.805 N/A LYS 435.A N PRO 431.A O no hydrogen 2.932 N/A VAL 436.A N SER 432.A O no hydrogen 3.271 N/A LEU 437.A N LEU 433.A O no hydrogen 3.097 N/A ILE 438.A N SER 434.A O no hydrogen 3.156 N/A ALA 439.A N LYS 435.A O no hydrogen 2.847 N/A SER 440.A N VAL 436.A O no hydrogen 2.853 N/A SER 440.A N LEU 437.A O no hydrogen 3.157 N/A SER 440.A OG VAL 436.A O no hydrogen 3.522 N/A SER 440.A OG LEU 437.A O no hydrogen 2.379 N/A VAL 441.A N ILE 438.A O no hydrogen 3.264 N/A LYS 443.A N ALA 439.A O no hydrogen 3.172 N/A LYS 443.A NZ GLU 615.A OE2 no hydrogen 2.278 N/A GLY 444.A N VAL 441.A O no hydrogen 3.259 N/A CYS 445.A N SER 440.A O no hydrogen 2.983 N/A CYS 445.A SG SER 440.A O no hydrogen 3.936 N/A CYS 445.A SG LYS 546.A O no hydrogen 3.302 N/A SER 446.A OG PRO 536.A O no hydrogen 3.109 N/A ASP 447.A N ILE 538.A O no hydrogen 2.747 N/A GLU 448.A N GLU 448.A OE1 no hydrogen 2.804 N/A MET 449.A N CYS 445.A O no hydrogen 3.062 N/A VAL 450.A N SER 446.A O no hydrogen 2.986 N/A ILE 452.A N GLU 448.A O no hydrogen 3.078 N/A VAL 453.A N MET 449.A O no hydrogen 2.836 N/A SER 454.A N VAL 450.A O no hydrogen 2.927 N/A SER 454.A OG VAL 450.A O no hydrogen 2.812 N/A MET 455.A N THR 451.A O no hydrogen 2.993 N/A LEU 456.A N ILE 452.A O no hydrogen 3.118 N/A ASN 457.A N VAL 453.A O no hydrogen 3.241 N/A ASN 457.A N SER 454.A O no hydrogen 3.261 N/A LEU 458.A N MET 455.A O no hydrogen 3.280 N/A TYR 463.A N TYR 510.A O no hydrogen 2.777 N/A ARG 464.A NH2 ASP 473.A OD1 no hydrogen 3.414 N/A GLN 471.A N GLN 471.A OE1 no hydrogen 2.868 N/A ALA 472.A N LYS 468.A O no hydrogen 3.276 N/A ASP 473.A N GLN 469.A O no hydrogen 3.098 N/A GLN 474.A N GLN 470.A O no hydrogen 3.086 N/A LYS 475.A N GLN 471.A O no hydrogen 3.151 N/A LYS 476.A N ALA 472.A O no hydrogen 2.841 N/A LYS 476.A NZ HIS 480.A NE2 no hydrogen 3.013 N/A LYS 476.A NZ SER 578.A O no hydrogen 2.462 N/A ALA 477.A N ASP 473.A O no hydrogen 3.018 N/A PHE 479.A N LYS 476.A O no hydrogen 3.023 N/A ASP 481.A N THR 488.A OG1 no hydrogen 2.980 N/A THR 483.A N ASP 481.A OD1 no hydrogen 3.144 N/A THR 483.A OG1 ASP 481.A OD1 no hydrogen 2.962 N/A GLY 484.A N ASP 481.A O no hydrogen 3.334 N/A ASP 485.A N THR 605.A O no hydrogen 2.889 N/A HIS 486.A N THR 606.A OG1 no hydrogen 3.312 N/A HIS 486.A ND1 THR 606.A OG1 no hydrogen 2.398 N/A THR 488.A N GLY 484.A O no hydrogen 3.249 N/A THR 488.A OG1 GLY 484.A O no hydrogen 2.572 N/A LEU 489.A N ASP 485.A O no hydrogen 2.868 N/A LEU 490.A N HIS 486.A O no hydrogen 3.248 N/A ASN 491.A N LEU 487.A O no hydrogen 3.080 N/A ASN 491.A ND2 PHE 479.A O no hydrogen 2.892 N/A VAL 492.A N THR 488.A O no hydrogen 3.072 N/A TYR 493.A N LEU 489.A O no hydrogen 3.314 N/A ASN 494.A N LEU 490.A O no hydrogen 3.052 N/A ALA 495.A N ASN 491.A O no hydrogen 2.860 N/A TRP 496.A N VAL 492.A O no hydrogen 2.979 N/A LYS 497.A N TYR 493.A O no hydrogen 2.877 N/A ASN 498.A N ASN 494.A O no hydrogen 2.788 N/A SER 499.A N ALA 495.A O no hydrogen 3.126 N/A SER 499.A N TRP 496.A O no hydrogen 3.240 N/A SER 499.A OG ALA 495.A O no hydrogen 3.524 N/A SER 499.A OG TRP 496.A O no hydrogen 2.808 N/A GLY 500.A N LYS 497.A O no hydrogen 2.955 N/A TYR 501.A N TRP 496.A O no hydrogen 3.010 N/A TRP 505.A N SER 502.A OG no hydrogen 3.089 N/A CYS 506.A N SER 502.A O no hydrogen 3.264 N/A CYS 506.A SG SER 502.A O no hydrogen 3.355 N/A PHE 507.A N ASN 503.A O no hydrogen 3.068 N/A GLU 508.A N ALA 504.A O no hydrogen 2.848 N/A ASN 509.A N TRP 505.A O no hydrogen 3.016 N/A ASN 509.A ND2 TRP 505.A O no hydrogen 2.861 N/A TYR 510.A N PHE 507.A O no hydrogen 3.280 N/A ILE 511.A N CYS 506.A O no hydrogen 2.870 N/A GLN 512.A N ILE 461.A O no hydrogen 2.895 N/A GLN 512.A NE2 ALA 259.A O no hydrogen 2.743 N/A ARG 514.A NH2 SER 258.A O no hydrogen 2.434 N/A ARG 514.A NH2 GLN 512.A OE1 no hydrogen 3.468 N/A MET 516.A N GLN 512.A O no hydrogen 3.281 N/A ARG 517.A N ALA 513.A O no hydrogen 2.907 N/A ARG 518.A N ARG 514.A O no hydrogen 3.164 N/A ALA 519.A N ALA 515.A O no hydrogen 2.883 N/A ARG 520.A N MET 516.A O no hydrogen 3.104 N/A ASP 521.A N ARG 517.A O no hydrogen 3.173 N/A VAL 522.A N ARG 518.A O no hydrogen 2.770 N/A ARG 523.A N ALA 519.A O no hydrogen 2.798 N/A ARG 523.A NH2 ASP 447.A O no hydrogen 3.035 N/A ARG 523.A NH2 ASP 447.A OD1 no hydrogen 2.327 N/A GLN 524.A N ARG 520.A O no hydrogen 2.988 N/A GLN 525.A N ASP 521.A O no hydrogen 3.202 N/A ILE 526.A N VAL 522.A O no hydrogen 2.894 N/A VAL 527.A N ARG 523.A O no hydrogen 2.909 N/A LYS 528.A N GLN 524.A O no hydrogen 3.226 N/A ILE 529.A N GLN 525.A O no hydrogen 3.104 N/A MET 530.A N ILE 526.A O no hydrogen 2.869 N/A GLU 531.A N VAL 527.A O no hydrogen 3.106 N/A ARG 532.A N LYS 528.A O no hydrogen 3.086 N/A HIS 533.A N ILE 529.A O no hydrogen 3.232 N/A ARG 534.A N GLU 531.A O no hydrogen 3.049 N/A ARG 534.A NH2 GLU 531.A O no hydrogen 3.174 N/A HIS 535.A N MET 530.A O no hydrogen 2.852 N/A SER 539.A OG GLU 448.A OE2 no hydrogen 2.613 N/A CYS 540.A N GLU 448.A OE1 no hydrogen 3.148 N/A CYS 540.A SG GLY 541.A O no hydrogen 3.656 N/A CYS 540.A SG ASP 543.A O no hydrogen 3.336 N/A GLY 541.A N SER 539.A OG no hydrogen 3.328 N/A ASP 543.A N CYS 540.A O no hydrogen 3.217 N/A THR 544.A N ARG 542.A O no hydrogen 2.625 N/A LYS 546.A N ASP 543.A O no hydrogen 3.361 N/A ILE 547.A N THR 544.A O no hydrogen 3.069 N/A ARG 548.A NE ALA 607.A O no hydrogen 3.121 N/A GLN 549.A N ASP 545.A O no hydrogen 2.825 N/A GLN 549.A NE2 GLU 615.A OE1 no hydrogen 3.481 N/A ALA 550.A N LYS 546.A O no hydrogen 3.089 N/A LEU 551.A N ILE 547.A O no hydrogen 2.920 N/A CYS 552.A SG ARG 548.A O no hydrogen 3.391 N/A ALA 553.A N ALA 550.A O no hydrogen 3.064 N/A GLY 554.A N LEU 551.A O no hydrogen 3.314 N/A PHE 555.A N LEU 551.A O no hydrogen 3.083 N/A ASN 558.A ND2 TYR 591.A O no hydrogen 3.541 N/A THR 559.A N ARG 557.A O no hydrogen 2.845 N/A THR 559.A OG1 PHE 556.A O no hydrogen 2.593 N/A THR 559.A OG1 ARG 557.A O no hydrogen 3.466 N/A ALA 560.A N VAL 589.A O no hydrogen 2.921 N/A ARG 561.A N LYS 565.A O no hydrogen 2.873 N/A ARG 561.A NE GLU 587.A OE2 no hydrogen 3.329 N/A ARG 561.A NH2 GLU 587.A OE2 no hydrogen 2.671 N/A LYS 562.A N GLU 587.A O no hydrogen 2.992 N/A TYR 564.A OH ALA 586.A O no hydrogen 2.689 N/A LYS 565.A N ARG 561.A O no hydrogen 2.830 N/A THR 566.A N THR 571.A O no hydrogen 2.806 N/A THR 566.A OG1 THR 571.A O no hydrogen 2.967 N/A THR 566.A OG1 THR 571.A OG1 no hydrogen 2.972 N/A LEU 567.A N THR 559.A O no hydrogen 2.939 N/A THR 571.A OG1 THR 566.A OG1 no hydrogen 2.972 N/A VAL 573.A N TYR 564.A O no hydrogen 3.088 N/A TYR 574.A N GLU 600.A O no hydrogen 2.941 N/A HIS 576.A ND1 SER 578.A OG no hydrogen 2.566 N/A SER 578.A N HIS 576.A ND1 no hydrogen 3.289 N/A SER 578.A OG HIS 576.A ND1 no hydrogen 2.566 N/A SER 579.A N HIS 576.A O no hydrogen 2.852 N/A SER 579.A OG ASP 485.A OD1 no hydrogen 3.370 N/A SER 579.A OG ASP 485.A OD2 no hydrogen 2.737 N/A ALA 580.A N ASP 485.A OD1 no hydrogen 2.721 N/A LEU 581.A N SER 579.A OG no hydrogen 3.141 N/A PHE 582.A N SER 579.A O no hydrogen 3.125 N/A LYS 584.A N LEU 581.A O no hydrogen 3.177 N/A VAL 589.A N ALA 560.A O no hydrogen 2.905 N/A LEU 590.A N THR 606.A O no hydrogen 2.786 N/A TYR 591.A N ASN 558.A O no hydrogen 3.217 N/A HIS 592.A N HIS 603.A O no hydrogen 3.022 N/A HIS 592.A N PHE 604.A O no hydrogen 3.366 N/A GLU 593.A N HIS 603.A O no hydrogen 3.349 N/A VAL 595.A N TYR 601.A O no hydrogen 2.970 N/A LEU 596.A N ASP 316.A O no hydrogen 2.610 N/A THR 597.A N LYS 599.A O no hydrogen 3.362 N/A THR 598.A N THR 597.A OG1 no hydrogen 2.585 N/A TYR 601.A N VAL 595.A O no hydrogen 2.909 N/A MET 602.A N TYR 574.A O no hydrogen 2.894 N/A HIS 603.A N GLU 593.A O no hydrogen 2.826 N/A THR 606.A N LEU 590.A O no hydrogen 2.645 N/A THR 606.A OG1 HIS 486.A ND1 no hydrogen 2.398 N/A ALA 607.A N THR 483.A O no hydrogen 2.747 N/A ILE 608.A N TRP 588.A O no hydrogen 2.979 N/A TRP 612.A N GLU 609.A O no hydrogen 2.971 N/A LEU 613.A N PRO 610.A O no hydrogen 3.048 N/A GLU 615.A N LYS 611.A O no hydrogen 3.070 N/A ALA 616.A N TRP 612.A O no hydrogen 2.947 N/A ALA 617.A N LEU 613.A O no hydrogen 2.838 N/A PHE 620.A N ALA 617.A O no hydrogen 3.355 N/A PHE 621.A N ALA 617.A O no hydrogen 3.279 N/A