Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jz3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLU 26.A O no hydrogen 3.136 N/A CYS 5.A N HIS 123.A O no hydrogen 2.839 N/A CYS 5.A SG ILE 6.A O no hydrogen 3.903 N/A CYS 5.A SG GLN 28.A O no hydrogen 3.810 N/A ILE 6.A N GLN 28.A O no hydrogen 2.708 N/A ILE 7.A N VAL 125.A O no hydrogen 2.887 N/A GLY 8.A N ILE 30.A O no hydrogen 2.907 N/A PHE 9.A N SER 31.A OG no hydrogen 2.865 N/A SER 12.A OG THR 380.A OG1 no hydrogen 3.127 N/A ILE 14.A N PHE 11.A O no hydrogen 3.345 N/A VAL 17.A N ALA 13.A O no hydrogen 2.976 N/A ARG 18.A N ILE 14.A O no hydrogen 2.991 N/A GLU 19.A N PRO 15.A O no hydrogen 3.058 N/A LEU 20.A N LEU 16.A O no hydrogen 2.805 N/A ALA 21.A N VAL 17.A O no hydrogen 2.948 N/A ARG 22.A N ARG 18.A O no hydrogen 2.957 N/A ARG 22.A NE GLU 19.A OE2 no hydrogen 2.694 N/A ARG 22.A NH2 GLU 19.A OE2 no hydrogen 2.915 N/A THR 23.A N GLU 19.A O no hydrogen 2.989 N/A THR 23.A OG1 GLU 19.A O no hydrogen 3.197 N/A THR 23.A OG1 LEU 20.A O no hydrogen 3.254 N/A THR 23.A OG1 THR 25.A OG1 no hydrogen 2.829 N/A THR 23.A OG1 HIS 388.A NE2 no hydrogen 2.788 N/A GLN 24.A N ALA 21.A O no hydrogen 3.000 N/A THR 25.A N LEU 20.A O no hydrogen 2.963 N/A THR 25.A OG1 THR 23.A OG1 no hydrogen 2.829 N/A GLN 28.A N VAL 4.A O no hydrogen 2.769 N/A GLN 28.A NE2 ILE 29.A O no hydrogen 3.617 N/A ILE 29.A N LYS 93.A O no hydrogen 2.935 N/A ILE 30.A N ILE 6.A O no hydrogen 2.776 N/A SER 31.A N ILE 95.A O no hydrogen 2.876 N/A SER 31.A OG PHE 9.A O no hydrogen 3.518 N/A GLY 35.A N ALA 32.A O no hydrogen 3.363 N/A SER 36.A N ASP 39.A OD2 no hydrogen 2.998 N/A SER 36.A OG ASP 39.A OD2 no hydrogen 3.412 N/A ASP 39.A N SER 36.A O no hydrogen 3.028 N/A ARG 40.A N SER 36.A O no hydrogen 3.180 N/A ARG 40.A NH1 SER 34.A O no hydrogen 3.547 N/A ARG 40.A NH1 GLU 43.A OE2 no hydrogen 3.030 N/A ARG 40.A NH2 SER 34.A O no hydrogen 2.830 N/A LEU 41.A N VAL 37.A O no hydrogen 2.601 N/A SER 42.A N TRP 38.A O no hydrogen 2.890 N/A GLU 43.A N ASP 39.A O no hydrogen 3.090 N/A GLU 43.A N ARG 40.A O no hydrogen 3.213 N/A SER 44.A N ARG 40.A O no hydrogen 3.125 N/A SER 44.A OG ARG 40.A O no hydrogen 3.076 N/A SER 44.A OG LEU 41.A O no hydrogen 3.032 N/A SER 44.A OG SER 139.A O no hydrogen 3.362 N/A GLY 45.A N SER 42.A O no hydrogen 3.316 N/A ARG 46.A N LEU 41.A O no hydrogen 2.560 N/A ARG 46.A NH1 LEU 138.A O no hydrogen 2.635 N/A ARG 46.A NH2 ASN 140.A O no hydrogen 2.896 N/A ARG 46.A NH2 PHE 141.A O no hydrogen 2.790 N/A SER 50.A OG GLY 280.A O no hydrogen 3.281 N/A LEU 51.A N PRO 74.A O no hydrogen 2.997 N/A SER 53.A OG SER 58.A OG no hydrogen 2.286 N/A SER 54.A OG THR 57.A OG1 no hydrogen 2.747 N/A SER 54.A OG ASP 197.A OD1 no hydrogen 3.028 N/A SER 54.A OG ASP 197.A OD2 no hydrogen 2.914 N/A PHE 55.A N TYR 72.A O no hydrogen 3.174 N/A THR 57.A N SER 54.A O no hydrogen 3.102 N/A THR 57.A OG1 SER 54.A O no hydrogen 3.096 N/A THR 57.A OG1 SER 54.A OG no hydrogen 2.747 N/A SER 58.A N PHE 55.A O no hydrogen 3.209 N/A SER 58.A OG SER 53.A OG no hydrogen 2.286 N/A SER 58.A OG SER 54.A O no hydrogen 2.611 N/A PHE 59.A N PHE 55.A O no hydrogen 3.131 N/A TYR 60.A OH PHE 11.A O no hydrogen 2.770 N/A SER 61.A N GLU 381.A OE2 no hydrogen 3.059 N/A SER 61.A OG GLU 381.A OE1 no hydrogen 2.483 N/A ASP 63.A N TYR 60.A O no hydrogen 2.887 N/A LEU 64.A N TYR 60.A O no hydrogen 2.910 N/A VAL 65.A N SER 61.A O no hydrogen 2.912 N/A ARG 66.A N ASP 63.A O no hydrogen 2.944 N/A ASP 67.A N ASP 63.A O no hydrogen 3.018 N/A TYR 68.A N LEU 64.A O no hydrogen 2.809 N/A TYR 68.A OH ASP 71.A OD1 no hydrogen 2.697 N/A TYR 73.A OH GLN 185.A O no hydrogen 2.601 N/A THR 75.A N GLN 78.A OE1 no hydrogen 2.946 N/A ALA 76.A N PHE 49.A O no hydrogen 2.916 N/A GLN 78.A N THR 75.A OG1 no hydrogen 2.868 N/A PHE 79.A N THR 75.A O no hydrogen 2.895 N/A TYR 80.A N ALA 76.A O no hydrogen 2.881 N/A TYR 80.A OH ASP 39.A OD1 no hydrogen 2.611 N/A GLU 81.A N LYS 77.A O no hydrogen 2.747 N/A MET 82.A N GLN 78.A O no hydrogen 3.037 N/A HIS 83.A N PHE 79.A O no hydrogen 3.082 N/A GLU 84.A N TYR 80.A O no hydrogen 2.939 N/A ARG 85.A N GLU 81.A O no hydrogen 2.798 N/A ARG 85.A NH1 ASP 63.A OD1 no hydrogen 3.117 N/A ARG 85.A NH1 ASP 63.A OD2 no hydrogen 3.028 N/A ARG 85.A NH2 ASP 63.A OD1 no hydrogen 3.003 N/A TRP 86.A N MET 82.A O no hydrogen 3.148 N/A TRP 86.A NE1 ASP 63.A OD2 no hydrogen 2.942 N/A ARG 87.A N HIS 83.A O no hydrogen 2.691 N/A ARG 87.A NE GLU 84.A OE1 no hydrogen 3.089 N/A ARG 87.A NH1 GLU 91.A OE2 no hydrogen 2.965 N/A ARG 87.A NH2 GLU 84.A OE2 no hydrogen 3.152 N/A SER 88.A N GLU 84.A O no hydrogen 2.943 N/A VAL 89.A N ARG 85.A O no hydrogen 3.098 N/A TYR 90.A N TRP 86.A O no hydrogen 3.216 N/A TYR 90.A N ARG 87.A O no hydrogen 3.031 N/A LYS 93.A N TYR 90.A O no hydrogen 2.937 N/A LYS 93.A NZ PHE 27.A O no hydrogen 2.943 N/A ILE 94.A N GLU 91.A O no hydrogen 2.795 N/A ILE 95.A N ILE 29.A O no hydrogen 2.637 N/A ARG 96.A NE GLU 91.A OE1 no hydrogen 3.303 N/A ARG 96.A NH1 SER 31.A O no hydrogen 3.437 N/A ARG 96.A NH1 ALA 32.A O no hydrogen 3.074 N/A ARG 96.A NH2 GLU 91.A OE2 no hydrogen 2.900 N/A PHE 98.A N ASP 97.A OD1 no hydrogen 2.798 N/A THR 100.A N SER 112.A O no hydrogen 2.859 N/A THR 100.A OG1 SER 112.A O no hydrogen 3.065 N/A ILE 102.A N THR 335.A O no hydrogen 2.768 N/A GLU 103.A N LEU 110.A O no hydrogen 2.699 N/A ASN 104.A N LEU 337.A O no hydrogen 2.774 N/A ASN 104.A ND2 SER 109.A OG no hydrogen 2.613 N/A ASN 104.A ND2 ASN 361.A O no hydrogen 2.938 N/A PHE 105.A N TYR 108.A O no hydrogen 2.771 N/A SER 109.A N ALA 121.A O no hydrogen 2.744 N/A LEU 110.A N GLU 103.A O no hydrogen 2.615 N/A ILE 111.A N TYR 119.A O no hydrogen 2.691 N/A SER 112.A N LYS 101.A O no hydrogen 2.888 N/A THR 113.A OG1 ASP 97.A OD2 no hydrogen 3.035 N/A THR 113.A OG1 SER 115.A OG no hydrogen 3.221 N/A THR 113.A OG1 LYS 117.A O no hydrogen 2.549 N/A ARG 114.A N PHE 98.A O no hydrogen 2.965 N/A SER 115.A N ASP 97.A OD1 no hydrogen 3.300 N/A SER 115.A OG ASP 97.A OD2 no hydrogen 2.493 N/A SER 115.A OG THR 113.A OG1 no hydrogen 3.221 N/A GLY 116.A N THR 113.A O no hydrogen 3.358 N/A LYS 117.A N SER 115.A OG no hydrogen 3.256 N/A TYR 119.A N ILE 111.A O no hydrogen 2.947 N/A ALA 121.A N SER 109.A O no hydrogen 3.100 N/A LYS 122.A N LEU 2.A O no hydrogen 2.857 N/A HIS 123.A N GLU 3.A O no hydrogen 2.728 N/A HIS 123.A ND1 TYR 364.A OH no hydrogen 2.648 N/A VAL 124.A N ASN 362.A O no hydrogen 2.689 N/A VAL 125.A N CYS 5.A O no hydrogen 2.890 N/A LEU 126.A N TYR 364.A O no hydrogen 2.769 N/A ALA 127.A N ILE 7.A O no hydrogen 2.739 N/A THR 128.A N TYR 368.A OH no hydrogen 3.063 N/A THR 128.A OG1 ARG 332.A O no hydrogen 2.658 N/A THR 128.A OG1 TYR 368.A OH no hydrogen 2.268 N/A ASP 131.A N GLN 330.A O no hydrogen 3.058 N/A MET 134.A N ASP 327.A OD1 no hydrogen 3.154 N/A ASN 135.A N ARG 132.A O no hydrogen 2.932 N/A THR 136.A OG1 LEU 133.A O no hydrogen 3.078 N/A PHE 137.A N MET 134.A O no hydrogen 2.977 N/A SER 139.A N ASN 135.A O no hydrogen 2.618 N/A SER 139.A OG ASN 135.A O no hydrogen 2.543 N/A ASN 140.A N THR 136.A O no hydrogen 2.672 N/A PHE 141.A N THR 136.A O no hydrogen 3.250 N/A ASN 147.A N ASN 169.A O no hydrogen 3.060 N/A LYS 148.A N ASN 171.A OD1 no hydrogen 3.231 N/A PHE 150.A N LYS 172.A O no hydrogen 2.966 N/A VAL 151.A N GLN 322.A O no hydrogen 2.966 N/A PHE 152.A N ILE 174.A O no hydrogen 2.850 N/A ASP 153.A N VAL 324.A O no hydrogen 3.092 N/A ASN 160.A N GLY 156.A O no hydrogen 3.157 N/A ASN 160.A ND2 ASN 284.A O no hydrogen 3.039 N/A LEU 161.A N ASP 157.A O no hydrogen 3.063 N/A LEU 162.A N SER 158.A O no hydrogen 2.869 N/A ILE 163.A N ALA 159.A O no hydrogen 2.843 N/A ALA 164.A N ASN 160.A O no hydrogen 2.799 N/A LYS 165.A N LEU 161.A O no hydrogen 3.172 N/A LYS 165.A N LEU 162.A O no hydrogen 2.820 N/A LYS 165.A NZ ASP 48.A OD1 no hydrogen 2.543 N/A LEU 166.A N LEU 162.A O no hydrogen 2.916 N/A LEU 166.A N ILE 163.A O no hydrogen 2.812 N/A ILE 167.A N ILE 163.A O no hydrogen 3.114 N/A ASN 169.A N LEU 166.A O no hydrogen 3.211 N/A ASN 170.A N ILE 167.A O no hydrogen 2.786 N/A ASN 170.A ND2 ASP 554.A OD1 no hydrogen 3.027 N/A ASN 171.A N LEU 166.A O no hydrogen 3.367 N/A ASN 171.A ND2 VAL 145.A O no hydrogen 3.151 N/A ASN 171.A ND2 LEU 166.A O no hydrogen 2.679 N/A LYS 172.A N LYS 148.A O no hydrogen 2.958 N/A LYS 172.A NZ ASN 170.A O no hydrogen 2.933 N/A ILE 174.A N PHE 150.A O no hydrogen 2.961 N/A LEU 175.A N ILE 296.A O no hydrogen 2.925 N/A ARG 176.A N PHE 152.A O no hydrogen 2.948 N/A ARG 176.A NH2 THR 302.A O no hydrogen 3.016 N/A THR 177.A OG1 ASP 153.A O no hydrogen 2.925 N/A PHE 180.A N ILE 237.A O no hydrogen 3.131 N/A LEU 183.A N ILE 257.A O no hydrogen 2.799 N/A GLN 185.A N TYR 259.A O no hydrogen 2.714 N/A VAL 187.A N PHE 194.A O no hydrogen 2.731 N/A VAL 189.A N LYS 192.A O no hydrogen 2.890 N/A LYS 192.A N VAL 189.A O no hydrogen 2.784 N/A LYS 192.A NZ ASP 492.A OD1 no hydrogen 3.548 N/A PHE 194.A N VAL 187.A O no hydrogen 2.737 N/A THR 195.A OG1 ASP 197.A OD1 no hydrogen 2.856 N/A LEU 196.A N GLN 185.A O no hydrogen 2.813 N/A GLN 198.A N THR 195.A O no hydrogen 2.940 N/A LEU 199.A N LEU 196.A O no hydrogen 3.119 N/A ASN 203.A ND2 TYR 459.A O no hydrogen 2.925 N/A PHE 204.A N SER 201.A O no hydrogen 3.219 N/A ARG 205.A N PRO 202.A O no hydrogen 3.039 N/A ARG 205.A NH1 TYR 415.A OH no hydrogen 2.740 N/A ARG 205.A NH2 ASP 436.A OD1 no hydrogen 2.802 N/A TYR 206.A N ASN 203.A O no hydrogen 2.970 N/A TYR 206.A OH GLU 435.A OE1 no hydrogen 2.492 N/A VAL 207.A N PHE 204.A O no hydrogen 2.980 N/A GLU 210.A N GLU 210.A OE2 no hydrogen 3.002 N/A LEU 211.A N SER 208.A OG no hydrogen 3.175 N/A TYR 212.A N SER 208.A O no hydrogen 3.222 N/A TYR 212.A OH GLU 200.A O no hydrogen 2.464 N/A ASP 213.A N SER 209.A O no hydrogen 2.793 N/A ARG 214.A N GLU 210.A O no hydrogen 3.239 N/A ARG 214.A NE ILE 504.A O no hydrogen 2.916 N/A ARG 214.A NH2 ILE 504.A O no hydrogen 3.498 N/A ARG 214.A NH2 ARG 505.A O no hydrogen 3.016 N/A LEU 215.A N LEU 211.A O no hydrogen 2.971 N/A MET 216.A N ASP 213.A O no hydrogen 3.168 N/A MET 217.A N ASP 213.A O no hydrogen 2.926 N/A SER 218.A OG ASP 516.A OD2 no hydrogen 3.260 N/A VAL 220.A N MET 217.A O no hydrogen 2.902 N/A TYR 221.A N MET 217.A O no hydrogen 2.735 N/A ARG 223.A N TYR 231.A OH no hydrogen 3.135 N/A ARG 223.A NH1 ASP 213.A OD2 no hydrogen 2.679 N/A ARG 223.A NH2 ASP 213.A OD2 no hydrogen 2.916 N/A THR 224.A N TYR 231.A OH no hydrogen 3.312 N/A THR 224.A OG1 GLU 514.A OE1 no hydrogen 2.833 N/A THR 224.A OG1 GLU 514.A OE2 no hydrogen 3.226 N/A VAL 225.A N GLU 514.A OE1 no hydrogen 3.274 N/A ASN 226.A N THR 224.A OG1 no hydrogen 3.041 N/A ALA 228.A N ASN 226.A OD1 no hydrogen 2.991 N/A VAL 229.A N ASN 226.A O no hydrogen 3.506 N/A SER 230.A N ASN 525.A O no hydrogen 3.132 N/A TYR 231.A OH SER 218.A O no hydrogen 2.666 N/A TYR 231.A OH TYR 221.A O no hydrogen 3.117 N/A ASN 232.A N VAL 229.A O no hydrogen 2.953 N/A ASN 232.A ND2 THR 224.A O no hydrogen 2.831 N/A ASN 232.A ND2 ASN 226.A O no hydrogen 2.891 N/A GLN 233.A N VAL 229.A O no hydrogen 3.148 N/A GLN 233.A NE2 PRO 227.A O no hydrogen 3.090 N/A PHE 234.A N SER 230.A O no hydrogen 2.836 N/A ILE 237.A N PHE 234.A O no hydrogen 3.204 N/A ARG 238.A N PRO 235.A O no hydrogen 3.122 N/A ARG 239.A NH1 ASN 178.A OD1 no hydrogen 3.517 N/A SER 242.A N ASP 240.A OD1 no hydrogen 3.155 N/A SER 242.A OG ASP 240.A OD1 no hydrogen 2.419 N/A VAL 244.A N PHE 241.A O no hydrogen 2.817 N/A SER 246.A OG SER 248.A O no hydrogen 3.463 N/A SER 246.A OG HIS 414.A O no hydrogen 3.012 N/A SER 246.A OG TYR 415.A O no hydrogen 3.306 N/A SER 248.A N SER 246.A OG no hydrogen 2.950 N/A SER 249.A OG ASP 213.A OD1 no hydrogen 2.822 N/A ASN 252.A ND2 TYR 411.A OH no hydrogen 2.967 N/A ASN 252.A ND2 TYR 416.A OH no hydrogen 3.389 N/A GLY 253.A N THR 427.A O no hydrogen 2.796 N/A LEU 254.A N PRO 251.A O no hydrogen 3.226 N/A ILE 257.A N THR 181.A O no hydrogen 2.872 N/A LYS 258.A NZ ALA 256.A O no hydrogen 2.688 N/A LYS 258.A NZ PHE 372.A O no hydrogen 3.020 N/A TYR 259.A N LEU 183.A O no hydrogen 3.142 N/A TYR 259.A OH ASN 525.A OD1 no hydrogen 2.464 N/A TRP 260.A N ASN 284.A OD1 no hydrogen 2.801 N/A ILE 262.A N ASP 285.A OD2 no hydrogen 2.614 N/A GLN 264.A N ASP 263.A OD1 no hydrogen 2.892 N/A GLN 264.A NE2 GLN 188.A OE1 no hydrogen 3.023 N/A TYR 265.A N PRO 261.A O no hydrogen 3.046 N/A TYR 265.A OH TYR 281.A O no hydrogen 2.958 N/A TYR 266.A N ILE 262.A O no hydrogen 2.681 N/A TYR 267.A N ASP 263.A O no hydrogen 2.765 N/A HIS 268.A N GLN 264.A O no hydrogen 2.928 N/A HIS 268.A N TYR 265.A O no hydrogen 3.146 N/A HIS 268.A NE2 GLU 186.A OE1 no hydrogen 2.840 N/A HIS 268.A NE2 GLU 186.A OE2 no hydrogen 2.927 N/A PHE 269.A N TYR 265.A O no hydrogen 2.902 N/A PHE 269.A N TYR 266.A O no hydrogen 3.110 N/A ASN 270.A N TYR 266.A O no hydrogen 3.014 N/A ASN 270.A ND2 TYR 266.A O no hydrogen 2.852 N/A ASP 272.A N PHE 269.A O no hydrogen 3.417 N/A TYR 276.A N ASP 272.A O no hydrogen 2.886 N/A ILE 277.A N LEU 273.A O no hydrogen 2.786 N/A SER 278.A N GLU 274.A O no hydrogen 2.940 N/A SER 278.A OG GLU 274.A O no hydrogen 3.428 N/A SER 278.A OG ASN 275.A O no hydrogen 3.146 N/A LYS 279.A N ASN 275.A O no hydrogen 3.144 N/A GLY 280.A N ILE 277.A O no hydrogen 2.810 N/A TYR 281.A N TYR 276.A O no hydrogen 3.120 N/A TYR 281.A OH TYR 73.A O no hydrogen 2.623 N/A LEU 283.A N TYR 540.A OH no hydrogen 2.819 N/A MET 288.A N ASP 285.A OD1 no hydrogen 2.823 N/A TRP 289.A N ASP 285.A O no hydrogen 2.818 N/A LEU 290.A N ILE 286.A O no hydrogen 2.958 N/A HIS 291.A N ALA 287.A O no hydrogen 2.952 N/A HIS 291.A NE2 GLU 531.A OE2 no hydrogen 2.840 N/A THR 292.A N MET 288.A O no hydrogen 3.028 N/A THR 292.A OG1 MET 288.A O no hydrogen 3.055 N/A THR 292.A OG1 TRP 289.A O no hydrogen 3.349 N/A GLY 293.A N LEU 290.A O no hydrogen 3.194 N/A VAL 295.A N TRP 289.A O no hydrogen 3.308 N/A ILE 296.A N ILE 173.A O no hydrogen 2.875 N/A VAL 298.A N LEU 175.A O no hydrogen 3.099 N/A THR 302.A N PRO 299.A O no hydrogen 3.260 N/A THR 302.A OG1 PRO 299.A O no hydrogen 2.790 N/A ASN 305.A N THR 310.A O no hydrogen 2.647 N/A LYS 308.A NZ GLU 317.A OE1 no hydrogen 3.106 N/A LYS 309.A NZ HIS 321.A O no hydrogen 2.504 N/A THR 310.A N ASN 305.A O no hydrogen 2.988 N/A ILE 311.A N ARG 318.A O no hydrogen 2.883 N/A THR 312.A N PRO 303.A O no hydrogen 2.794 N/A TYR 313.A N ILE 316.A O no hydrogen 2.957 N/A ILE 316.A N TYR 313.A O no hydrogen 3.191 N/A ARG 318.A N ILE 311.A O no hydrogen 2.971 N/A ARG 318.A NE THR 149.A OG1 no hydrogen 3.247 N/A ARG 318.A NH1 ASP 558.A OD1 no hydrogen 2.879 N/A ARG 318.A NH1 ASP 558.A OD2 no hydrogen 2.820 N/A ARG 318.A NH1 GLU 560.A OE2 no hydrogen 3.171 N/A ARG 318.A NH2 THR 149.A OG1 no hydrogen 2.758 N/A ARG 318.A NH2 ASP 558.A OD2 no hydrogen 2.402 N/A SER 319.A OG LYS 309.A O no hydrogen 3.254 N/A PHE 320.A N LYS 309.A O no hydrogen 3.094 N/A HIS 321.A N THR 149.A O no hydrogen 2.782 N/A VAL 324.A N VAL 151.A O no hydrogen 2.834 N/A GLN 330.A N ASP 131.A O no hydrogen 3.161 N/A ARG 332.A N GLY 129.A O no hydrogen 2.900 N/A LEU 337.A N ILE 102.A O no hydrogen 2.698 N/A ILE 338.A N THR 342.A O no hydrogen 2.772 N/A GLU 341.A N ILE 338.A O no hydrogen 2.691 N/A THR 342.A N ILE 338.A O no hydrogen 3.300 N/A THR 342.A OG1 GLU 341.A OE2 no hydrogen 2.892 N/A PHE 344.A N ILE 336.A O no hydrogen 2.823 N/A TYR 348.A OH THR 369.A OG1 no hydrogen 2.731 N/A ASP 350.A N LEU 347.A O no hydrogen 2.824 N/A THR 351.A N TYR 348.A O no hydrogen 3.117 N/A PHE 352.A N ILE 356.A O no hydrogen 2.752 N/A VAL 355.A N PHE 352.A O no hydrogen 2.838 N/A ILE 356.A N PHE 352.A O no hydrogen 2.914 N/A ASN 361.A N ASN 104.A OD1 no hydrogen 2.745 N/A ASN 361.A ND2 PHE 105.A O no hydrogen 2.910 N/A ASN 362.A ND2 LYS 122.A O no hydrogen 3.486 N/A TYR 364.A N VAL 124.A O no hydrogen 2.774 N/A TYR 364.A OH HIS 123.A ND1 no hydrogen 2.648 N/A PHE 365.A N VAL 355.A O no hydrogen 2.636 N/A LEU 366.A N LEU 126.A O no hydrogen 2.846 N/A GLY 367.A N GLN 383.A OE1 no hydrogen 3.216 N/A TYR 368.A OH THR 128.A OG1 no hydrogen 2.268 N/A THR 369.A OG1 TYR 348.A OH no hydrogen 2.731 N/A ARG 370.A N HIS 426.A O no hydrogen 2.860 N/A PHE 372.A N VAL 428.A O no hydrogen 2.791 N/A THR 373.A OG1 GLU 200.A OE1 no hydrogen 3.546 N/A THR 373.A OG1 GLU 200.A OE2 no hydrogen 2.502 N/A GLY 375.A N THR 57.A OG1 no hydrogen 2.952 N/A ASN 378.A N THR 57.A O no hydrogen 3.433 N/A ASN 378.A ND2 ASN 465.A OD1 no hydrogen 3.122 N/A THR 380.A N LEU 376.A O no hydrogen 3.001 N/A THR 380.A OG1 SER 12.A OG no hydrogen 3.127 N/A GLU 381.A N ALA 377.A O no hydrogen 2.869 N/A MET 382.A N ASN 378.A O no hydrogen 3.371 N/A GLN 383.A N ILE 379.A O no hydrogen 2.801 N/A GLN 383.A NE2 MET 353.A O no hydrogen 3.659 N/A GLN 383.A NE2 TYR 433.A OH no hydrogen 2.855 N/A SER 384.A N THR 380.A O no hydrogen 2.874 N/A SER 384.A OG THR 380.A O no hydrogen 2.891 N/A LEU 385.A N GLU 381.A O no hydrogen 3.090 N/A PHE 386.A N MET 382.A O no hydrogen 2.971 N/A ILE 387.A N GLN 383.A O no hydrogen 2.754 N/A HIS 388.A N SER 384.A O no hydrogen 2.880 N/A HIS 388.A ND1 TYR 475.A OH no hydrogen 2.792 N/A HIS 388.A NE2 THR 23.A OG1 no hydrogen 2.788 N/A LYS 389.A N LEU 385.A O no hydrogen 2.913 N/A LYS 389.A NZ GLN 393.A OE1 no hydrogen 2.968 N/A LYS 389.A NZ GLU 474.A OE1 no hydrogen 3.227 N/A LYS 389.A NZ GLU 474.A OE2 no hydrogen 2.676 N/A LEU 390.A N PHE 386.A O no hydrogen 3.042 N/A ILE 391.A N ILE 387.A O no hydrogen 2.973 N/A THR 392.A N HIS 388.A O no hydrogen 3.106 N/A THR 392.A OG1 HIS 388.A O no hydrogen 2.716 N/A GLN 393.A N LYS 389.A O no hydrogen 2.917 N/A GLN 393.A NE2 GLU 474.A OE1 no hydrogen 2.675 N/A HIS 397.A N GLN 393.A O no hydrogen 2.939 N/A GLN 398.A N PRO 394.A O no hydrogen 2.798 N/A LYS 399.A N GLN 395.A O no hydrogen 3.012 N/A ILE 400.A N PHE 396.A O no hydrogen 3.069 N/A HIS 401.A N HIS 397.A O no hydrogen 2.967 N/A GLN 402.A N GLN 398.A O no hydrogen 2.755 N/A LEU 404.A N HIS 401.A O no hydrogen 2.967 N/A ARG 407.A N ASN 403.A O no hydrogen 2.923 N/A ARG 407.A NE ILE 400.A O no hydrogen 3.214 N/A ARG 407.A NE ASN 403.A OD1 no hydrogen 3.057 N/A ARG 407.A NH1 PHE 627.A O no hydrogen 2.936 N/A ARG 407.A NH1 ILE 628.A O no hydrogen 3.407 N/A ARG 407.A NH2 LYS 399.A O no hydrogen 3.062 N/A ILE 408.A N LEU 404.A O no hydrogen 2.884 N/A THR 409.A N SER 405.A O no hydrogen 3.058 N/A THR 409.A OG1 SER 405.A O no hydrogen 3.115 N/A ALA 410.A N LYS 406.A O no hydrogen 2.875 N/A TYR 411.A N ARG 407.A O no hydrogen 2.862 N/A ASN 412.A N ILE 408.A O no hydrogen 2.796 N/A ASN 412.A ND2 ARG 349.A O no hydrogen 2.704 N/A GLN 413.A N THR 409.A O no hydrogen 2.861 N/A HIS 414.A N ALA 410.A O no hydrogen 3.096 N/A TYR 415.A N TYR 411.A O no hydrogen 3.019 N/A TYR 415.A OH ASP 436.A OD1 no hydrogen 3.314 N/A TYR 415.A OH ASP 436.A OD2 no hydrogen 2.478 N/A TYR 416.A N ASN 412.A O no hydrogen 2.791 N/A TYR 416.A OH ASP 425.A O no hydrogen 2.382 N/A GLY 417.A N ASN 412.A O no hydrogen 2.938 N/A GLY 417.A N GLN 413.A O no hydrogen 3.192 N/A ALA 418.A N ASP 245.A OD2 no hydrogen 2.320 N/A ARG 422.A N ASP 425.A OD1 no hydrogen 3.349 N/A ARG 422.A N ASP 425.A OD2 no hydrogen 3.094 N/A ARG 422.A NH2 GLY 253.A O no hydrogen 2.982 N/A ASP 425.A N ARG 422.A O no hydrogen 3.313 N/A THR 427.A N HIS 424.A O no hydrogen 2.998 N/A THR 427.A OG1 HIS 424.A O no hydrogen 3.308 N/A VAL 428.A N ARG 370.A O no hydrogen 2.815 N/A PHE 432.A N PRO 429.A O no hydrogen 3.181 N/A TYR 433.A N PRO 429.A O no hydrogen 3.043 N/A TYR 433.A OH MET 353.A O no hydrogen 2.467 N/A THR 434.A N PHE 430.A O no hydrogen 2.791 N/A THR 434.A OG1 PHE 430.A O no hydrogen 3.105 N/A THR 434.A OG1 ASN 464.A O no hydrogen 2.545 N/A ASP 436.A N PHE 432.A O no hydrogen 2.682 N/A ILE 437.A N TYR 433.A O no hydrogen 3.061 N/A ALA 438.A N THR 434.A O no hydrogen 2.874 N/A ARG 439.A N GLU 435.A O no hydrogen 2.874 N/A ARG 439.A NH1 TYR 206.A OH no hydrogen 3.031 N/A ARG 439.A NH1 TYR 623.A O no hydrogen 2.860 N/A ARG 439.A NH2 TYR 623.A O no hydrogen 2.850 N/A LEU 440.A N ASP 436.A O no hydrogen 3.028 N/A ILE 441.A N ILE 437.A O no hydrogen 2.826 N/A GLY 442.A N ALA 438.A O no hydrogen 2.758 N/A ILE 443.A N ALA 438.A O no hydrogen 2.817 N/A TYR 445.A OH LYS 468.A O no hydrogen 2.711 N/A GLU 449.A N GLN 446.A O no hydrogen 3.115 N/A CYS 450.A N PRO 447.A O no hydrogen 3.270 N/A CYS 450.A SG PRO 447.A O no hydrogen 3.422 N/A ARG 451.A N ASP 455.A OD2 no hydrogen 2.708 N/A SER 452.A N ASP 455.A OD2 no hydrogen 3.285 N/A VAL 453.A N SER 598.A O no hydrogen 3.096 N/A ARG 454.A N LEU 596.A O no hydrogen 2.800 N/A ARG 454.A NE ASP 597.A OD1 no hydrogen 2.819 N/A ARG 454.A NH1 ASP 597.A OD1 no hydrogen 3.232 N/A ARG 454.A NH1 ASP 597.A OD2 no hydrogen 2.990 N/A ASP 455.A N SER 452.A OG no hydrogen 3.226 N/A LEU 456.A N SER 452.A O no hydrogen 3.168 N/A LEU 457.A N VAL 453.A O no hydrogen 2.826 N/A PHE 458.A N ARG 454.A O no hydrogen 2.992 N/A TYR 459.A N ASP 455.A O no hydrogen 2.765 N/A TYR 460.A N LEU 456.A O no hydrogen 2.790 N/A TYR 460.A OH LEU 617.A O no hydrogen 2.622 N/A ALA 461.A N LEU 457.A O no hydrogen 2.802 N/A PHE 462.A N LEU 457.A O no hydrogen 2.899 N/A ASN 464.A ND2 ASN 203.A OD1 no hydrogen 2.886 N/A ASN 464.A ND2 GLY 431.A O no hydrogen 2.804 N/A ASN 465.A ND2 GLN 56.A OE1 no hydrogen 3.312 N/A ALA 466.A N ASN 378.A OD1 no hydrogen 2.987 N/A LYS 468.A N ASN 465.A O no hydrogen 3.018 N/A LYS 468.A NZ PHE 458.A O no hydrogen 2.830 N/A LYS 468.A NZ TYR 459.A O no hydrogen 3.041 N/A LYS 468.A NZ PHE 462.A O no hydrogen 2.842 N/A LYS 468.A NZ ASN 464.A OD1 no hydrogen 3.106 N/A TYR 469.A N ALA 466.A O no hydrogen 2.888 N/A TYR 469.A OH GLU 435.A OE2 no hydrogen 2.557 N/A ARG 470.A N PHE 467.A O no hydrogen 3.241 N/A ARG 470.A NE TYR 475.A O no hydrogen 2.699 N/A ARG 470.A NH1 GLU 381.A OE1 no hydrogen 2.639 N/A ARG 470.A NH2 GLU 19.A OE1 no hydrogen 2.908 N/A ARG 470.A NH2 TYR 475.A O no hydrogen 3.169 N/A TYR 475.A OH HIS 388.A ND1 no hydrogen 2.792 N/A ALA 476.A N GLY 473.A O no hydrogen 3.181 N/A VAL 477.A N ARG 470.A O no hydrogen 2.920 N/A VAL 480.A N VAL 477.A O no hydrogen 3.328 N/A GLU 482.A N GLU 482.A OE1 no hydrogen 2.832 N/A LEU 483.A N GLY 479.A O no hydrogen 3.116 N/A ILE 484.A N VAL 480.A O no hydrogen 2.993 N/A GLN 485.A N ASP 481.A O no hydrogen 3.125 N/A GLN 485.A NE2 GLN 485.A O no hydrogen 3.277 N/A GLN 485.A NE2 ASP 489.A OD1 no hydrogen 3.180 N/A LYS 486.A N GLU 482.A O no hydrogen 2.924 N/A VAL 487.A N LEU 483.A O no hydrogen 2.785 N/A ASN 488.A N ILE 484.A O no hydrogen 2.730 N/A ASP 489.A N GLN 485.A O no hydrogen 2.810 N/A LYS 490.A N LYS 486.A O no hydrogen 3.078 N/A LYS 490.A NZ LYS 486.A O no hydrogen 3.448 N/A HIS 491.A N ASN 488.A O no hydrogen 3.232 N/A HIS 491.A NE2 ASP 71.A OD1 no hydrogen 3.129 N/A HIS 493.A N ASN 488.A O no hydrogen 2.778 N/A TYR 494.A N HIS 491.A O no hydrogen 2.994 N/A TYR 494.A OH GLN 198.A OE1 no hydrogen 2.486 N/A ALA 495.A N ASP 492.A O no hydrogen 2.999 N/A GLN 496.A NE2 HIS 491.A O no hydrogen 2.415 N/A PHE 498.A N TYR 494.A O no hydrogen 3.336 N/A VAL 499.A N ALA 495.A O no hydrogen 2.712 N/A GLN 500.A N GLN 496.A O no hydrogen 3.064 N/A GLN 500.A NE2 LEU 215.A O no hydrogen 2.937 N/A ALA 501.A N VAL 497.A O no hydrogen 3.300 N/A LEU 502.A N PHE 498.A O no hydrogen 3.213 N/A SER 503.A N VAL 499.A O no hydrogen 2.907 N/A SER 503.A OG VAL 499.A O no hydrogen 2.878 N/A ILE 504.A N ALA 501.A O no hydrogen 3.354 N/A ARG 505.A N LEU 502.A O no hydrogen 3.287 N/A ARG 505.A NH1 LEU 502.A O no hydrogen 2.737 N/A MET 507.A N ILE 504.A O no hydrogen 3.058 N/A ASN 508.A N GLU 511.A OE2 no hydrogen 2.943 N/A SER 509.A OG ASP 510.A OD1 no hydrogen 3.567 N/A GLU 511.A N ASN 508.A OD1 no hydrogen 2.999 N/A ALA 512.A N ASN 508.A O no hydrogen 3.169 N/A ALA 513.A N SER 509.A O no hydrogen 3.055 N/A GLU 514.A N ASP 510.A O no hydrogen 3.133 N/A TRP 515.A N GLU 511.A O no hydrogen 2.911 N/A TRP 515.A NE1 ASP 584.A OD2 no hydrogen 3.199 N/A ASP 516.A N ALA 512.A O no hydrogen 2.842 N/A HIS 517.A N GLU 514.A O no hydrogen 3.153 N/A HIS 517.A ND1 ALA 513.A O no hydrogen 2.724 N/A SER 518.A N TRP 515.A O no hydrogen 3.009 N/A SER 518.A OG TRP 515.A O no hydrogen 2.649 N/A ARG 520.A N ASP 582.A OD2 no hydrogen 3.162 N/A ARG 521.A NE ASP 263.A OD2 no hydrogen 2.785 N/A ARG 521.A NH1 SER 523.A O no hydrogen 2.807 N/A ARG 521.A NH2 ASP 184.A OD2 no hydrogen 2.637 N/A ARG 521.A NH2 ASP 263.A OD1 no hydrogen 3.354 N/A PHE 522.A N ASP 526.A OD2 no hydrogen 3.086 N/A ASN 525.A N ASP 184.A OD1 no hydrogen 2.798 N/A ASN 525.A ND2 ALA 182.A O no hydrogen 2.911 N/A MET 527.A N ALA 228.A O no hydrogen 2.824 N/A ARG 528.A N ASP 526.A OD1 no hydrogen 3.076 N/A ARG 528.A NE ASP 526.A OD1 no hydrogen 2.941 N/A ARG 528.A NH2 ALA 519.A O no hydrogen 2.884 N/A ARG 528.A NH2 ASP 526.A OD2 no hydrogen 2.816 N/A HIS 529.A N ASP 526.A O no hydrogen 3.355 N/A HIS 529.A NE2 ARG 520.A O no hydrogen 2.710 N/A LYS 530.A NZ ASP 285.A OD1 no hydrogen 3.526 N/A LYS 530.A NZ ASP 285.A OD2 no hydrogen 3.127 N/A TYR 533.A N LYS 530.A O no hydrogen 2.925 N/A ARG 534.A N GLU 531.A O no hydrogen 2.867 N/A ARG 534.A NE GLU 531.A OE2 no hydrogen 2.716 N/A ARG 534.A NH2 GLU 531.A OE2 no hydrogen 3.524 N/A LEU 537.A N TYR 533.A O no hydrogen 2.888 N/A ASP 538.A N ARG 534.A O no hydrogen 3.217 N/A ASP 538.A N ALA 535.A O no hydrogen 3.030 N/A THR 539.A N ALA 535.A O no hydrogen 3.145 N/A THR 539.A OG1 ALA 535.A O no hydrogen 3.255 N/A TYR 540.A N PHE 536.A O no hydrogen 2.727 N/A LEU 541.A N LEU 537.A O no hydrogen 2.877 N/A LYS 542.A N ASP 538.A O no hydrogen 2.912 N/A ALA 543.A N THR 539.A O no hydrogen 2.764 N/A TYR 544.A N TYR 540.A O no hydrogen 2.616 N/A ARG 545.A N LEU 541.A O no hydrogen 2.843 N/A ARG 545.A NE PRO 168.A O no hydrogen 2.775 N/A ARG 545.A NH1 ASP 554.A OD2 no hydrogen 3.072 N/A ARG 545.A NH2 PRO 168.A O no hydrogen 3.177 N/A ARG 545.A NH2 ASP 554.A OD1 no hydrogen 3.468 N/A GLN 546.A N LYS 542.A O no hydrogen 3.001 N/A VAL 547.A N ALA 543.A O no hydrogen 3.104 N/A GLU 548.A N TYR 544.A O no hydrogen 3.018 N/A ILE 550.A N ARG 545.A O no hydrogen 2.856 N/A THR 555.A N ASP 553.A OD2 no hydrogen 3.205 N/A THR 555.A OG1 ASP 553.A OD2 no hydrogen 2.218 N/A TRP 561.A N ASP 558.A OD1 no hydrogen 3.015 N/A ASN 562.A N ASP 558.A O no hydrogen 2.978 N/A PHE 563.A N GLU 559.A O no hydrogen 2.998 N/A MET 564.A N GLU 560.A O no hydrogen 2.818 N/A VAL 565.A N TRP 561.A O no hydrogen 2.411 N/A LYS 566.A N ASN 562.A O no hydrogen 2.768 N/A GLU 567.A N PHE 563.A O no hydrogen 2.715 N/A ALA 568.A N MET 564.A O no hydrogen 2.912 N/A CYS 569.A N VAL 565.A O no hydrogen 2.986 N/A CYS 569.A SG LEU 290.A O no hydrogen 3.934 N/A CYS 569.A SG VAL 565.A O no hydrogen 3.276 N/A ARG 572.A NE ASP 573.A OD1 no hydrogen 2.935 N/A ARG 572.A NH1 HIS 291.A O no hydrogen 2.808 N/A ARG 572.A NH2 ASP 573.A OD1 no hydrogen 3.265 N/A ASP 573.A N CYS 569.A O no hydrogen 3.039 N/A LYS 574.A N GLN 570.A O no hydrogen 2.978 N/A VAL 575.A N VAL 571.A O no hydrogen 2.742 N/A VAL 575.A N ARG 572.A O no hydrogen 3.038 N/A ALA 576.A N ARG 572.A O no hydrogen 2.728 N/A ASN 578.A N VAL 575.A O no hydrogen 3.164 N/A ILE 579.A N ALA 576.A O no hydrogen 3.422 N/A LYS 581.A N SER 518.A OG no hydrogen 2.861 N/A ASP 584.A N SER 580.A O no hydrogen 2.862 N/A VAL 585.A N LYS 581.A O no hydrogen 2.944 N/A ASN 586.A N ASP 582.A O no hydrogen 2.944 N/A LYS 587.A N GLU 583.A O no hydrogen 2.957 N/A GLY 588.A N ASP 584.A O no hydrogen 2.781 N/A ILE 589.A N VAL 585.A O no hydrogen 2.857 N/A ARG 590.A N ASN 586.A O no hydrogen 3.272 N/A LEU 591.A N LYS 587.A O no hydrogen 2.973 N/A ILE 592.A N GLY 588.A O no hydrogen 2.810 N/A LEU 593.A N ILE 589.A O no hydrogen 2.991 N/A SER 594.A N ARG 590.A O no hydrogen 3.147 N/A SER 594.A N LEU 591.A O no hydrogen 2.802 N/A SER 594.A OG LEU 591.A O no hydrogen 2.698 N/A ILE 595.A N ILE 592.A O no hydrogen 2.975 N/A SER 598.A N ILE 595.A O no hydrogen 2.842 N/A SER 598.A OG ASP 599.A O no hydrogen 3.552 N/A ILE 600.A N ARG 451.A O no hydrogen 2.693 N/A SER 602.A N ASP 599.A OD2 no hydrogen 3.467 N/A SER 602.A OG ASP 599.A OD2 no hydrogen 2.629 N/A LEU 603.A N ILE 600.A O no hydrogen 2.721 N/A PHE 613.A N GLN 609.A O no hydrogen 3.054 N/A ILE 614.A N SER 610.A O no hydrogen 2.856 N/A ARG 615.A N ILE 611.A O no hydrogen 2.877 N/A ARG 615.A NH1 ASP 605.A OD1 no hydrogen 2.687 N/A ARG 615.A NH2 LEU 603.A O no hydrogen 3.050 N/A ARG 615.A NH2 ASP 605.A OD1 no hydrogen 2.495 N/A ARG 616.A N GLU 612.A O no hydrogen 3.129 N/A LEU 617.A N ILE 614.A O no hydrogen 3.208 N/A LEU 618.A N ARG 615.A O no hydrogen 3.296 N/A GLN 619.A N ARG 616.A O no hydrogen 2.911 N/A LYS 621.A NZ GLN 619.A O no hydrogen 3.289 N/A ASN 622.A N TYR 206.A O no hydrogen 2.731 N/A ASN 622.A ND2 ARG 205.A O no hydrogen 3.158 N/A ILE 628.A N LEU 625.A O no hydrogen 2.909 N/A ARG 629.A N LEU 625.A O no hydrogen 3.210 N/A ARG 629.A NE GLU 624.A OE1 no hydrogen 3.471 N/A