Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4z3y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE GLU 5.A OE2 no hydrogen 2.995 N/A ARG 2.A NH1 THR 24.A O no hydrogen 3.246 N/A ARG 2.A NH2 GLU 5.A OE2 no hydrogen 2.885 N/A ARG 2.A NH2 THR 24.A OG1 no hydrogen 3.042 N/A ALA 4.A N CYS 210.A O no hydrogen 2.923 N/A GLU 5.A N TYR 3.A O no hydrogen 2.494 N/A THR 6.A N ASP 109.A OD1 no hydrogen 2.959 N/A THR 6.A N ASP 109.A OD2 no hydrogen 2.970 N/A THR 6.A OG1 GLY 107.A O no hydrogen 2.993 N/A THR 6.A OG1 ASP 109.A OD2 no hydrogen 3.073 N/A GLY 7.A N ASP 109.A OD2 no hydrogen 2.623 N/A VAL 9.A N VAL 22.A O no hydrogen 2.971 N/A LEU 10.A N LYS 110.A O no hydrogen 3.123 N/A GLU 11.A N GLU 20.A O no hydrogen 2.748 N/A VAL 12.A N ILE 112.A O no hydrogen 2.948 N/A ASP 13.A N SER 18.A O no hydrogen 2.995 N/A LEU 14.A N ARG 114.A O no hydrogen 3.043 N/A THR 15.A N ASP 13.A OD1 no hydrogen 3.046 N/A THR 15.A OG1 LYS 116.A O no hydrogen 3.176 N/A GLY 17.A N ASP 13.A O no hydrogen 2.689 N/A SER 18.A N ASP 13.A O no hydrogen 3.210 N/A GLU 20.A N GLU 11.A O no hydrogen 3.065 N/A VAL 22.A N VAL 9.A O no hydrogen 3.002 N/A THR 24.A N GLY 7.A O no hydrogen 2.771 N/A THR 24.A OG1 GLY 7.A O no hydrogen 3.075 N/A ARG 27.A N ASP 25.A OD1 no hydrogen 2.831 N/A ASP 28.A N ASP 25.A O no hydrogen 3.023 N/A THR 29.A OG1 GLU 5.A OE1 no hydrogen 2.967 N/A THR 29.A OG1 GLU 5.A OE2 no hydrogen 3.045 N/A GLU 30.A N PRO 26.A O no hydrogen 3.423 N/A LEU 31.A N ARG 27.A O no hydrogen 3.260 N/A LEU 31.A N ASP 28.A O no hydrogen 3.215 N/A TYR 32.A N ASP 28.A O no hydrogen 2.742 N/A LEU 33.A N THR 29.A O no hydrogen 2.801 N/A GLY 34.A N TYR 32.A O no hydrogen 2.494 N/A LEU 36.A N ASP 529.A O no hydrogen 2.905 N/A GLY 37.A N GLY 34.A O no hydrogen 3.071 N/A THR 38.A OG1 GLY 35.A O no hydrogen 3.260 N/A ASN 39.A N GLY 35.A O no hydrogen 3.003 N/A ASN 39.A ND2 ILE 79.A O no hydrogen 3.139 N/A ASN 39.A ND2 SER 81.A OG no hydrogen 3.018 N/A ALA 40.A N LEU 36.A O no hydrogen 2.945 N/A LYS 41.A N GLY 37.A O no hydrogen 3.214 N/A LYS 41.A NZ ASP 45.A OD2 no hydrogen 2.488 N/A ILE 42.A N THR 38.A O no hydrogen 3.056 N/A LEU 43.A N ASN 39.A O no hydrogen 3.022 N/A TRP 44.A N ALA 40.A O no hydrogen 2.997 N/A ASP 45.A N LYS 41.A O no hydrogen 3.506 N/A ARG 46.A NH1 GLU 11.A OE1 no hydrogen 3.437 N/A ARG 46.A NH1 GLU 11.A OE2 no hydrogen 2.968 N/A ARG 46.A NH2 GLU 11.A OE1 no hydrogen 3.389 N/A VAL 47.A N LEU 43.A O no hydrogen 2.923 N/A VAL 51.A N PRO 48.A O no hydrogen 3.053 N/A SER 55.A N GLU 52.A O no hydrogen 2.913 N/A GLU 57.A N SER 55.A OG no hydrogen 3.323 N/A ASN 58.A N SER 55.A O no hydrogen 2.836 N/A ASN 58.A ND2 PRO 53.A O no hydrogen 2.492 N/A ASN 58.A ND2 VAL 83.A O no hydrogen 3.621 N/A LEU 60.A N PHE 113.A O no hydrogen 2.992 N/A ILE 61.A N SER 81.A O no hydrogen 3.053 N/A PHE 62.A N ILE 111.A O no hydrogen 2.807 N/A ALA 63.A N ILE 79.A O no hydrogen 3.010 N/A ALA 64.A N ASP 109.A O no hydrogen 2.966 N/A LEU 66.A N ALA 530.A O no hydrogen 3.176 N/A LEU 67.A N LEU 531.A O no hydrogen 2.957 N/A CYS 68.A N GLY 65.A O no hydrogen 3.268 N/A CYS 68.A SG ARG 77.A O no hydrogen 3.568 N/A CYS 68.A SG GLY 532.A O no hydrogen 4.034 N/A THR 70.A N LEU 67.A O no hydrogen 3.321 N/A THR 70.A OG1 LEU 67.A O no hydrogen 2.396 N/A THR 70.A OG1 TYR 217.A OH no hydrogen 2.899 N/A GLY 74.A N ASN 301.A O no hydrogen 2.929 N/A CYS 75.A N ALA 72.A O no hydrogen 3.160 N/A CYS 75.A SG LEU 531.A O no hydrogen 3.137 N/A ASN 76.A N GLY 532.A O no hydrogen 3.093 N/A ASN 76.A ND2 TYR 300.A O no hydrogen 2.879 N/A ARG 77.A N GLY 532.A O no hydrogen 2.870 N/A ARG 77.A NH1 ASN 76.A OD1 no hydrogen 3.137 N/A THR 78.A N MET 95.A O no hydrogen 2.767 N/A ILE 79.A N ALA 63.A O no hydrogen 2.736 N/A VAL 80.A N SER 93.A O no hydrogen 2.786 N/A SER 81.A N ILE 61.A O no hydrogen 3.081 N/A THR 82.A N ALA 91.A O no hydrogen 2.875 N/A THR 82.A OG1 ASN 58.A OD1 no hydrogen 3.198 N/A THR 82.A OG1 LEU 59.A O no hydrogen 2.618 N/A VAL 83.A N THR 82.A OG1 no hydrogen 2.701 N/A SER 84.A N LEU 89.A O no hydrogen 2.884 N/A SER 84.A OG GLY 187.A O no hydrogen 2.825 N/A GLN 86.A N SER 84.A OG no hydrogen 3.020 N/A GLN 86.A NE2 GLU 432.A OE1 no hydrogen 2.933 N/A THR 87.A N SER 84.A OG no hydrogen 3.121 N/A LYS 88.A N SER 84.A O no hydrogen 2.997 N/A LEU 89.A N THR 87.A OG1 no hydrogen 3.123 N/A MET 90.A N ASN 583.A OD1 no hydrogen 2.993 N/A ALA 91.A N THR 82.A O no hydrogen 2.707 N/A SER 93.A N VAL 80.A O no hydrogen 2.653 N/A MET 95.A N THR 78.A O no hydrogen 2.959 N/A PHE 98.A N GLN 179.A OE1 no hydrogen 3.476 N/A TRP 99.A NE1 VAL 201.A O no hydrogen 3.300 N/A GLU 102.A N PHE 98.A O no hydrogen 3.401 N/A LEU 103.A N TRP 99.A O no hydrogen 3.170 N/A LYS 104.A N ALA 100.A O no hydrogen 3.267 N/A LYS 104.A NZ ALA 4.A O no hydrogen 2.681 N/A LYS 104.A NZ GLY 65.A O no hydrogen 3.318 N/A LYS 104.A NZ LEU 66.A O no hydrogen 3.191 N/A LYS 104.A NZ CYS 68.A O no hydrogen 2.729 N/A TYR 105.A N PRO 101.A O no hydrogen 3.041 N/A TYR 105.A OH TYR 300.A OH no hydrogen 2.891 N/A ALA 106.A N LEU 103.A O no hydrogen 2.970 N/A GLY 107.A N LEU 103.A O no hydrogen 3.047 N/A GLY 107.A N LYS 104.A O no hydrogen 2.910 N/A TYR 108.A N LEU 103.A O no hydrogen 3.201 N/A TYR 108.A OH ASN 127.A O no hydrogen 2.477 N/A ASP 109.A N TYR 8.A O no hydrogen 2.820 N/A LYS 110.A NZ GLY 35.A O no hydrogen 2.998 N/A LYS 110.A NZ THR 38.A OG1 no hydrogen 2.690 N/A LYS 110.A NZ ASN 39.A OD1 no hydrogen 2.386 N/A ILE 111.A N PHE 62.A O no hydrogen 2.794 N/A ILE 112.A N LEU 10.A O no hydrogen 2.827 N/A PHE 113.A N LEU 60.A O no hydrogen 2.862 N/A ARG 114.A N VAL 12.A O no hydrogen 2.995 N/A ARG 114.A NE ASP 13.A OD2 no hydrogen 3.290 N/A GLY 115.A N PRO 56.A O no hydrogen 2.686 N/A LYS 116.A N THR 15.A OG1 no hydrogen 2.974 N/A LYS 116.A NZ PHE 54.A O no hydrogen 2.659 N/A LYS 116.A NZ ASP 195.A OD1 no hydrogen 2.867 N/A LYS 116.A NZ ASP 195.A OD2 no hydrogen 3.063 N/A SER 117.A N LYS 196.A O no hydrogen 2.989 N/A SER 117.A OG GLU 119.A O no hydrogen 2.933 N/A VAL 121.A N GLY 197.A O no hydrogen 3.098 N/A TYR 122.A N ARG 133.A O no hydrogen 2.874 N/A LEU 123.A N ALA 200.A O no hydrogen 3.150 N/A TYR 124.A N GLU 131.A O no hydrogen 2.807 N/A TYR 124.A OH GLU 156.A OE2 no hydrogen 2.553 N/A ILE 125.A N VAL 202.A O no hydrogen 2.689 N/A ASN 126.A N LYS 129.A O no hydrogen 2.722 N/A ASN 126.A ND2 TYR 124.A OH no hydrogen 3.340 N/A ASN 127.A N ARG 204.A O no hydrogen 3.119 N/A ASN 127.A ND2 THR 206.A OG1 no hydrogen 2.952 N/A LYS 129.A N ASN 126.A O no hydrogen 2.933 N/A GLU 131.A N TYR 124.A O no hydrogen 2.985 N/A ARG 133.A N TYR 122.A O no hydrogen 2.810 N/A ARG 133.A NE GLU 131.A OE2 no hydrogen 2.391 N/A ARG 133.A NH2 GLU 131.A OE2 no hydrogen 2.962 N/A ALA 135.A N LEU 120.A O no hydrogen 2.828 N/A SER 136.A N ASP 134.A OD2 no hydrogen 3.029 N/A SER 136.A OG ASP 134.A OD2 no hydrogen 2.662 N/A HIS 137.A NE2 GLU 153.A OE1 no hydrogen 3.292 N/A HIS 137.A NE2 GLU 153.A OE2 no hydrogen 2.386 N/A LEU 138.A N ALA 135.A O no hydrogen 2.977 N/A LYS 139.A N SER 136.A O no hydrogen 3.268 N/A GLY 140.A N GLU 169.A OE2 no hydrogen 2.978 N/A LYS 141.A N LEU 138.A O no hydrogen 3.172 N/A GLY 142.A N GLU 145.A OE1 no hydrogen 3.019 N/A ALA 143.A N GLU 348.A O no hydrogen 2.883 N/A ILE 144.A N GLU 348.A OE2 no hydrogen 2.965 N/A THR 146.A N GLY 142.A O no hydrogen 2.905 N/A THR 146.A OG1 GLY 142.A O no hydrogen 2.610 N/A GLU 148.A N ILE 144.A O no hydrogen 3.351 N/A ILE 149.A N GLU 145.A O no hydrogen 3.359 N/A ILE 150.A N THR 146.A O no hydrogen 3.169 N/A LYS 151.A N ALA 147.A O no hydrogen 3.083 N/A LYS 151.A NZ GLU 148.A OE2 no hydrogen 2.991 N/A LYS 152.A N GLU 148.A O no hydrogen 3.310 N/A LYS 152.A N ILE 149.A O no hydrogen 3.288 N/A GLU 153.A N ILE 149.A O no hydrogen 2.953 N/A LEU 154.A N ILE 150.A O no hydrogen 2.907 N/A ASN 155.A N LYS 152.A O no hydrogen 3.279 N/A GLU 156.A N LYS 151.A O no hydrogen 3.039 N/A ALA 159.A N GLU 156.A O no hydrogen 3.142 N/A GLN 160.A N VAL 203.A O no hydrogen 3.079 N/A ALA 162.A N VAL 201.A O no hydrogen 3.188 N/A ALA 163.A N GLU 178.A O no hydrogen 3.076 N/A ILE 164.A N LYS 199.A O no hydrogen 3.196 N/A ALA 167.A N TYR 349.A O no hydrogen 3.208 N/A GLU 169.A N GLY 165.A O no hydrogen 3.244 N/A ASN 170.A N LYS 166.A O no hydrogen 2.967 N/A ASN 170.A ND2 VAL 396.A O no hydrogen 2.627 N/A ARG 171.A N GLY 168.A O no hydrogen 2.898 N/A VAL 172.A N ALA 167.A O no hydrogen 2.975 N/A PHE 173.A N ALA 406.A O no hydrogen 2.963 N/A TYR 174.A OH LEU 405.A O no hydrogen 2.742 N/A ALA 175.A N VAL 172.A O no hydrogen 2.900 N/A SER 176.A N GLY 350.A O no hydrogen 2.693 N/A SER 176.A OG GLU 178.A OE2 no hydrogen 2.805 N/A ILE 177.A N ALA 184.A O no hydrogen 2.983 N/A GLU 178.A N ALA 163.A O no hydrogen 2.876 N/A GLN 179.A N SER 182.A O no hydrogen 3.003 N/A GLN 179.A NE2 GLY 96.A O no hydrogen 3.293 N/A ARG 181.A NE ARG 181.A O no hydrogen 2.825 N/A ARG 181.A NH1 ILE 297.A O no hydrogen 3.127 N/A SER 182.A N GLN 179.A O no hydrogen 3.061 N/A SER 183.A OG GLU 178.A OE2 no hydrogen 2.789 N/A SER 183.A OG SER 185.A OG no hydrogen 2.661 N/A ALA 184.A N ILE 177.A O no hydrogen 3.100 N/A SER 185.A OG SER 183.A O no hydrogen 3.298 N/A SER 185.A OG SER 183.A OG no hydrogen 2.661 N/A ARG 186.A NH1 ASP 352.A OD2 no hydrogen 3.387 N/A ARG 186.A NH1 GLU 432.A O no hydrogen 3.250 N/A ARG 186.A NH2 GLU 432.A O no hydrogen 3.022 N/A GLY 190.A N ALA 175.A O no hydrogen 2.980 N/A ALA 191.A N GLY 188.A O no hydrogen 2.814 N/A VAL 192.A N GLY 188.A O no hydrogen 3.328 N/A MET 193.A N ILE 189.A O no hydrogen 3.200 N/A GLY 194.A N GLY 190.A O no hydrogen 3.099 N/A ASP 195.A N ALA 191.A O no hydrogen 2.977 N/A LYS 196.A N VAL 192.A O no hydrogen 3.096 N/A LYS 196.A N MET 193.A O no hydrogen 3.324 N/A LYS 196.A NZ ASN 58.A O no hydrogen 2.806 N/A LYS 196.A NZ GLY 115.A O no hydrogen 3.111 N/A GLY 197.A N GLY 194.A O no hydrogen 2.900 N/A LEU 198.A N MET 193.A O no hydrogen 3.074 N/A LYS 199.A N VAL 121.A O no hydrogen 2.766 N/A LYS 199.A NZ LEU 138.A O no hydrogen 3.540 N/A LYS 199.A NZ LYS 141.A O no hydrogen 2.836 N/A LYS 199.A NZ ILE 164.A O no hydrogen 2.882 N/A LYS 199.A NZ GLU 169.A OE2 no hydrogen 2.631 N/A VAL 201.A N ALA 162.A O no hydrogen 2.922 N/A VAL 202.A N LEU 123.A O no hydrogen 2.739 N/A VAL 203.A N GLN 160.A O no hydrogen 3.118 N/A ARG 204.A N ILE 125.A O no hydrogen 2.760 N/A ARG 204.A NH1 GLU 102.A OE1 no hydrogen 3.049 N/A GLY 205.A N GLU 102.A OE1 no hydrogen 2.542 N/A THR 206.A N ASN 127.A OD1 no hydrogen 3.113 N/A LYS 207.A N TYR 105.A O no hydrogen 2.844 N/A LYS 207.A NZ ASP 128.A OD1 no hydrogen 2.647 N/A LYS 213.A N ALA 557.A O no hydrogen 2.749 N/A GLU 216.A N GLU 215.A OE2 no hydrogen 3.092 N/A TYR 217.A N LYS 213.A O no hydrogen 2.692 N/A TYR 217.A OH THR 70.A OG1 no hydrogen 2.899 N/A ILE 218.A N PRO 214.A O no hydrogen 3.004 N/A GLY 219.A N GLU 215.A O no hydrogen 3.094 N/A LEU 220.A N GLU 216.A O no hydrogen 3.278 N/A CYS 221.A N TYR 217.A O no hydrogen 3.271 N/A CYS 221.A SG TYR 217.A O no hydrogen 3.323 N/A ASN 222.A N ILE 218.A O no hydrogen 2.949 N/A GLU 223.A N GLY 219.A O no hydrogen 3.019 N/A VAL 224.A N LEU 220.A O no hydrogen 3.031 N/A LEU 225.A N CYS 221.A O no hydrogen 3.193 N/A ASP 226.A N ASN 222.A O no hydrogen 3.030 N/A TYR 227.A N GLU 223.A O no hydrogen 3.212 N/A TYR 227.A OH LYS 543.A O no hydrogen 3.361 N/A ILE 228.A N VAL 224.A O no hydrogen 2.917 N/A LYS 229.A N LEU 225.A O no hydrogen 3.085 N/A HIS 230.A N ASP 226.A O no hydrogen 3.171 N/A ARG 231.A N TYR 227.A O no hydrogen 2.730 N/A ARG 231.A NE LEU 542.A O no hydrogen 3.101 N/A ARG 231.A NE LYS 543.A O no hydrogen 3.198 N/A ARG 231.A NH1 ALA 244.A O no hydrogen 2.671 N/A ARG 231.A NH2 ALA 244.A O no hydrogen 3.196 N/A ARG 231.A NH2 LEU 542.A O no hydrogen 2.565 N/A GLU 232.A N ILE 228.A O no hydrogen 3.066 N/A GLU 233.A N HIS 230.A O no hydrogen 3.130 N/A ASN 234.A N ARG 231.A O no hydrogen 3.232 N/A ASN 234.A ND2 HIS 230.A O no hydrogen 2.799 N/A ILE 236.A N ALA 244.A O no hydrogen 3.179 N/A ALA 244.A N PRO 241.A O no hydrogen 3.307 N/A LEU 246.A N GLU 232.A OE1 no hydrogen 3.136 N/A GLY 247.A N GLY 536.A O no hydrogen 2.452 N/A GLN 250.A NE2 LEU 246.A O no hydrogen 3.066 N/A GLU 251.A N PRO 249.A O no hydrogen 2.538 N/A LYS 253.A NZ GLN 250.A OE1 no hydrogen 3.201 N/A LYS 253.A NZ MET 304.A O no hydrogen 2.590 N/A VAL 254.A N GLN 250.A O no hydrogen 3.228 N/A LYS 258.A NZ GLU 262.A OE1 no hydrogen 3.017 N/A HIS 260.A ND1 GLU 257.A OE1 no hydrogen 2.427 N/A THR 261.A N GLU 257.A O no hydrogen 3.041 N/A THR 261.A OG1 GLU 257.A O no hydrogen 2.889 N/A GLU 262.A N LYS 258.A O no hydrogen 3.233 N/A ASN 263.A ND2 TRP 259.A O no hydrogen 3.079 N/A PHE 264.A N HIS 260.A O no hydrogen 3.051 N/A ASN 265.A N PRO 435.A O no hydrogen 3.071 N/A ASN 265.A ND2 ALA 269.A O no hydrogen 3.591 N/A TRP 266.A N THR 271.A O no hydrogen 2.549 N/A TRP 266.A NE1 THR 261.A O no hydrogen 3.016 N/A GLY 267.A N MET 330.A O no hydrogen 2.661 N/A ASN 268.A ND2 GLU 365.A OE1 no hydrogen 3.058 N/A ASN 268.A ND2 TYR 423.A O no hydrogen 3.192 N/A ALA 269.A N GLY 267.A O no hydrogen 2.723 N/A ARG 270.A N TRP 266.A O no hydrogen 2.842 N/A ARG 270.A NE GLU 365.A OE2 no hydrogen 2.996 N/A ARG 270.A NH2 GLU 365.A OE1 no hydrogen 3.193 N/A THR 271.A N TRP 266.A O no hydrogen 3.107 N/A THR 271.A OG1 TYR 333.A OH no hydrogen 2.835 N/A TRP 277.A N GLU 262.A OE2 no hydrogen 3.138 N/A THR 278.A N PHE 276.A O no hydrogen 2.750 N/A VAL 281.A N THR 278.A OG1 no hydrogen 3.308 N/A SER 282.A N THR 278.A O no hydrogen 3.108 N/A HIS 283.A N ASP 279.A O no hydrogen 3.114 N/A ALA 284.A N GLU 280.A O no hydrogen 3.144 N/A TRP 285.A N VAL 281.A O no hydrogen 2.994 N/A GLU 286.A N SER 282.A O no hydrogen 3.348 N/A LYS 287.A N HIS 283.A O no hydrogen 3.159 N/A THR 288.A N ALA 284.A O no hydrogen 3.280 N/A THR 288.A OG1 ALA 284.A O no hydrogen 3.064 N/A MET 289.A N TRP 285.A O no hydrogen 3.046 N/A ASP 290.A N GLU 286.A O no hydrogen 2.966 N/A LYS 291.A N LYS 287.A O no hydrogen 3.207 N/A ALA 292.A N THR 288.A O no hydrogen 3.084 N/A ARG 293.A N MET 289.A O no hydrogen 3.066 N/A ARG 293.A NH1 MET 252.A O no hydrogen 2.868 N/A ARG 293.A NH2 ASP 290.A OD1 no hydrogen 3.295 N/A THR 294.A N THR 309.A O no hydrogen 2.874 N/A ARG 295.A N THR 309.A OG1 no hydrogen 3.018 N/A ILE 297.A N GLY 307.A O no hydrogen 3.163 N/A SER 298.A OG CYS 302.A O no hydrogen 2.909 N/A TYR 300.A N GLY 97.A O no hydrogen 3.203 N/A TYR 300.A OH TYR 105.A OH no hydrogen 2.891 N/A ASN 301.A ND2 PRO 71.A O no hydrogen 2.937 N/A CYS 306.A SG SER 248.A O no hydrogen 4.007 N/A ALA 308.A N MET 320.A O no hydrogen 2.850 N/A THR 309.A N ARG 295.A O no hydrogen 3.055 N/A THR 309.A OG1 ARG 295.A O no hydrogen 3.371 N/A ILE 310.A N TYR 318.A O no hydrogen 2.681 N/A SER 311.A N ALA 292.A O no hydrogen 2.733 N/A LEU 315.A N MET 312.A O no hydrogen 3.023 N/A TYR 318.A N ILE 310.A O no hydrogen 3.263 N/A TYR 318.A OH LEU 340.A O no hydrogen 2.570 N/A MET 320.A N ALA 308.A O no hydrogen 2.922 N/A THR 324.A OG1 LYS 321.A O no hydrogen 3.105 N/A LYS 325.A N CYS 322.A O no hydrogen 3.501 N/A LYS 325.A NZ GLU 251.A O no hydrogen 2.925 N/A LYS 325.A NZ GLU 257.A OE2 no hydrogen 2.953 N/A LEU 326.A N PHE 323.A O no hydrogen 3.016 N/A THR 327.A OG1 GLY 353.A O no hydrogen 2.699 N/A THR 329.A OG1 ASP 335.A O no hydrogen 2.883 N/A MET 330.A N LEU 326.A O no hydrogen 2.722 N/A ALA 331.A N THR 327.A O no hydrogen 3.061 N/A ALA 332.A N THR 329.A O no hydrogen 3.370 N/A TYR 333.A N MET 330.A O no hydrogen 3.503 N/A TYR 333.A OH THR 271.A OG1 no hydrogen 2.835 N/A SER 334.A N THR 329.A O no hydrogen 3.090 N/A SER 334.A OG ASP 335.A OD1 no hydrogen 3.033 N/A SER 334.A OG GLU 385.A OE2 no hydrogen 2.481 N/A PHE 338.A N ASP 335.A OD1 no hydrogen 3.173 N/A GLY 339.A N ASP 335.A O no hydrogen 3.273 N/A LEU 340.A N LEU 336.A O no hydrogen 3.173 N/A ARG 341.A N ASP 337.A O no hydrogen 3.295 N/A ARG 341.A N PHE 338.A O no hydrogen 3.178 N/A ILE 342.A N PHE 338.A O no hydrogen 3.094 N/A ALA 343.A N GLY 339.A O no hydrogen 3.138 N/A ALA 346.A N ILE 342.A O no hydrogen 2.919 N/A THR 347.A N ALA 343.A O no hydrogen 2.852 N/A THR 347.A OG1 ALA 343.A O no hydrogen 2.702 N/A GLU 348.A N GLN 344.A O no hydrogen 3.196 N/A TYR 349.A N LYS 345.A O no hydrogen 2.962 N/A TYR 349.A OH ASP 393.A OD1 no hydrogen 2.766 N/A GLY 350.A N ALA 346.A O no hydrogen 2.804 N/A LEU 351.A N ALA 346.A O no hydrogen 3.068 N/A ASP 352.A N TYR 174.A O no hydrogen 2.796 N/A PHE 354.A N ASP 352.A OD1 no hydrogen 3.261 N/A SER 355.A N ASP 352.A OD2 no hydrogen 3.028 N/A SER 355.A OG ASP 352.A OD2 no hydrogen 2.896 N/A SER 355.A OG GLU 432.A OE1 no hydrogen 3.201 N/A ALA 356.A N ASP 352.A O no hydrogen 3.105 N/A GLN 358.A NE2 GLN 433.A O no hydrogen 2.704 N/A VAL 359.A N SER 355.A O no hydrogen 2.836 N/A MET 360.A N ALA 356.A O no hydrogen 3.150 N/A ALA 361.A N PRO 357.A O no hydrogen 3.236 N/A PHE 362.A N GLN 358.A O no hydrogen 2.861 N/A ALA 363.A N VAL 359.A O no hydrogen 2.989 N/A PHE 364.A N MET 360.A O no hydrogen 3.177 N/A GLU 365.A N ALA 361.A O no hydrogen 3.171 N/A LEU 366.A N PHE 362.A O no hydrogen 3.269 N/A LEU 367.A N ALA 363.A O no hydrogen 2.968 N/A GLU 368.A N PHE 364.A O no hydrogen 2.785 N/A LYS 369.A N GLU 365.A O no hydrogen 2.855 N/A GLY 370.A N LEU 366.A O no hydrogen 2.999 N/A LEU 372.A N LEU 366.A O no hydrogen 3.040 N/A LYS 373.A N ASP 376.A OD2 no hydrogen 3.109 N/A ASP 376.A N LYS 373.A O no hydrogen 3.140 N/A PHE 377.A N ASP 374.A O no hydrogen 3.033 N/A ASN 384.A ND2 ALA 332.A O no hydrogen 2.419 N/A GLU 386.A N GLU 386.A OE1 no hydrogen 2.636 N/A ARG 387.A N GLY 383.A O no hydrogen 3.124 N/A ARG 387.A NE PRO 381.A O no hydrogen 3.016 N/A PHE 388.A N GLU 385.A O no hydrogen 3.097 N/A PHE 389.A N GLU 385.A O no hydrogen 3.315 N/A TYR 390.A N GLU 386.A O no hydrogen 2.941 N/A TYR 390.A OH PRO 378.A O no hydrogen 2.647 N/A LEU 391.A N ARG 387.A O no hydrogen 2.937 N/A LEU 392.A N PHE 388.A O no hydrogen 2.903 N/A ASP 393.A N PHE 389.A O no hydrogen 3.379 N/A LYS 394.A N TYR 390.A O no hydrogen 3.231 N/A LYS 394.A NZ ASP 399.A OD2 no hydrogen 2.611 N/A ILE 395.A N LEU 391.A O no hydrogen 3.052 N/A VAL 396.A N LEU 392.A O no hydrogen 3.170 N/A ASN 397.A N ASP 393.A O no hydrogen 3.315 N/A ASN 397.A ND2 ASP 393.A O no hydrogen 2.729 N/A ARG 398.A N ILE 395.A O no hydrogen 2.926 N/A ARG 398.A NE ASN 170.A O no hydrogen 2.847 N/A ARG 398.A NH1 ASP 403.A OD1 no hydrogen 2.770 N/A ARG 398.A NH1 ASN 407.A OD1 no hydrogen 3.211 N/A ARG 398.A NH2 ARG 171.A O no hydrogen 2.776 N/A ARG 398.A NH2 ASN 407.A OD1 no hydrogen 3.157 N/A ASP 399.A N LYS 394.A O no hydrogen 2.843 N/A GLY 402.A N ASP 399.A O no hydrogen 2.864 N/A ASP 403.A N GLY 400.A O no hydrogen 3.030 N/A LEU 405.A N ILE 401.A O no hydrogen 3.227 N/A ASN 407.A N ILE 404.A O no hydrogen 3.149 N/A GLY 408.A N LEU 405.A O no hydrogen 3.396 N/A THR 409.A N GLU 432.A OE2 no hydrogen 3.110 N/A THR 409.A OG1 GLU 432.A OE2 no hydrogen 2.821 N/A TRP 411.A NE1 GLN 86.A O no hydrogen 2.757 N/A ALA 412.A N GLY 408.A O no hydrogen 2.936 N/A ALA 413.A N THR 409.A O no hydrogen 3.053 N/A GLN 414.A N TYR 410.A O no hydrogen 2.985 N/A GLU 415.A N TRP 411.A O no hydrogen 3.001 N/A ILE 416.A N ALA 412.A O no hydrogen 2.804 N/A GLY 417.A N ALA 413.A O no hydrogen 2.945 N/A ALA 420.A N GLY 417.A O no hydrogen 3.199 N/A GLU 421.A N GLU 421.A OE1 no hydrogen 2.655 N/A ASP 422.A N GLY 419.A O no hydrogen 3.387 N/A TYR 423.A N ALA 420.A O no hydrogen 3.215 N/A ALA 424.A N GLU 421.A O no hydrogen 3.232 N/A HIS 425.A NE2 ASN 268.A O no hydrogen 2.957 N/A ASN 426.A ND2 GLN 358.A OE1 no hydrogen 2.922 N/A ASN 427.A ND2 THR 409.A OG1 no hydrogen 2.524 N/A ILE 428.A N HIS 431.A O no hydrogen 2.905 N/A LYS 429.A NZ CYS 450.A O no hydrogen 3.290 N/A LYS 429.A NZ GLU 593.A OE2 no hydrogen 3.274 N/A HIS 431.A N ILE 428.A O no hydrogen 3.115 N/A HIS 431.A ND1 GLN 86.A OE1 no hydrogen 3.136 N/A GLU 432.A N GLU 432.A OE1 no hydrogen 2.573 N/A GLN 433.A N ASN 426.A O no hydrogen 3.059 N/A GLN 433.A NE2 HIS 431.A O no hydrogen 3.107 N/A GLN 433.A NE2 ILE 455.A O no hydrogen 2.935 N/A LEU 436.A N LEU 434.A O no hydrogen 2.681 N/A LYS 437.A NZ HIS 425.A O no hydrogen 3.384 N/A LYS 437.A NZ ASN 426.A OD1 no hydrogen 3.073 N/A LYS 437.A NZ ASN 598.A OD1 no hydrogen 2.953 N/A LYS 437.A NZ HIS 599.A ND1 no hydrogen 3.278 N/A ILE 444.A N ASN 442.A OD1 no hydrogen 3.026 N/A TYR 445.A N ASN 442.A OD1 no hydrogen 3.126 N/A TYR 445.A OH GLU 461.A OE1 no hydrogen 2.349 N/A TYR 446.A N ASN 442.A O no hydrogen 2.835 N/A TYR 449.A N TYR 445.A O no hydrogen 2.885 N/A CYS 450.A N TYR 446.A O no hydrogen 3.149 N/A CYS 450.A SG TYR 446.A O no hydrogen 3.186 N/A CYS 450.A SG GLU 593.A O no hydrogen 3.359 N/A THR 451.A N LEU 447.A O no hydrogen 3.135 N/A THR 451.A OG1 LEU 447.A O no hydrogen 2.868 N/A GLY 452.A N MET 448.A O no hydrogen 3.334 N/A LYS 454.A NZ GLN 459.A OE1 no hydrogen 2.892 N/A ILE 455.A N GLY 452.A O no hydrogen 2.797 N/A ASN 456.A ND2 GLN 459.A OE1 no hydrogen 2.528 N/A GLN 459.A N ASN 456.A O no hydrogen 3.351 N/A GLN 463.A NE2 SER 538.A O no hydrogen 2.917 N/A GLN 463.A NE2 PRO 541.A O no hydrogen 3.144 N/A PHE 464.A N GLN 521.A OE1 no hydrogen 2.928 N/A TYR 469.A OH PRO 237.A O no hydrogen 2.852 N/A LYS 471.A N GLN 474.A OE1 no hydrogen 2.984 N/A GLN 474.A N LYS 471.A O no hydrogen 3.276 N/A GLN 474.A NE2 ASP 238.A OD2 no hydrogen 3.249 N/A ARG 475.A NE TYR 469.A O no hydrogen 3.048 N/A ARG 475.A NH2 TYR 469.A O no hydrogen 3.234 N/A GLU 476.A N LEU 472.A O no hydrogen 3.057 N/A ALA 477.A N GLU 473.A O no hydrogen 3.072 N/A PHE 478.A N GLN 474.A O no hydrogen 3.102 N/A VAL 479.A N ARG 475.A O no hydrogen 2.954 N/A ILE 483.A N ASP 481.A O no hydrogen 2.915 N/A GLN 484.A N GLN 484.A OE1 no hydrogen 2.677 N/A GLN 484.A NE2 TYR 227.A OH no hydrogen 2.756 N/A GLN 484.A NE2 PRO 544.A O no hydrogen 3.115 N/A LYS 489.A N ASP 487.A OD1 no hydrogen 2.711 N/A LYS 489.A NZ ASP 516.A OD2 no hydrogen 2.788 N/A PHE 490.A N ASP 487.A O no hydrogen 3.235 N/A LYS 491.A N GLU 488.A O no hydrogen 3.010 N/A LYS 491.A NZ VAL 479.A O no hydrogen 3.428 N/A LYS 492.A N GLU 488.A O no hydrogen 3.347 N/A ILE 493.A N LYS 489.A O no hydrogen 2.956 N/A PHE 494.A N PHE 490.A O no hydrogen 3.475 N/A LEU 495.A N LYS 491.A O no hydrogen 3.071 N/A GLU 496.A N LYS 492.A O no hydrogen 3.307 N/A TRP 497.A N ILE 493.A O no hydrogen 3.048 N/A GLU 498.A N LYS 503.A O no hydrogen 2.906 N/A ARG 500.A NH1 PRO 499.A O no hydrogen 3.138 N/A LYS 503.A NZ GLU 496.A OE2 no hydrogen 3.468 N/A SER 504.A N GLY 501.A O no hydrogen 3.201 N/A SER 504.A OG GLY 501.A O no hydrogen 2.848 N/A PHE 508.A N SER 504.A O no hydrogen 3.018 N/A MET 513.A N THR 510.A OG1 no hydrogen 3.256 N/A CYS 514.A N THR 510.A O no hydrogen 2.895 N/A CYS 514.A SG PRO 509.A O no hydrogen 3.473 N/A CYS 514.A SG THR 510.A O no hydrogen 3.152 N/A CYS 515.A N VAL 511.A O no hydrogen 3.124 N/A CYS 515.A SG VAL 511.A O no hydrogen 3.217 N/A CYS 515.A SG LEU 611.A O no hydrogen 4.009 N/A ASP 516.A N ASP 512.A O no hydrogen 3.219 N/A ILE 517.A N MET 513.A O no hydrogen 3.031 N/A VAL 518.A N CYS 514.A O no hydrogen 2.928 N/A ASP 519.A N CYS 515.A O no hydrogen 2.987 N/A TRP 520.A N ASP 516.A O no hydrogen 3.068 N/A GLN 521.A N ILE 517.A O no hydrogen 2.996 N/A GLU 522.A N VAL 518.A O no hydrogen 3.068 N/A MET 523.A N ASP 519.A O no hydrogen 3.117 N/A MET 524.A N TRP 520.A O no hydrogen 3.239 N/A HIS 525.A NE2 GLU 461.A O no hydrogen 2.501 N/A TYR 526.A N GLU 522.A O no hydrogen 3.203 N/A ILE 527.A N MET 523.A O no hydrogen 3.109 N/A ASP 528.A N MET 524.A O no hydrogen 3.048 N/A ASP 529.A N HIS 525.A O no hydrogen 2.943 N/A ALA 530.A N ILE 527.A O no hydrogen 3.308 N/A LEU 531.A N ILE 527.A O no hydrogen 3.073 N/A GLY 532.A N ASP 528.A O no hydrogen 2.800 N/A GLN 533.A NE2 THR 73.A O no hydrogen 2.747 N/A CYS 534.A N GLY 74.A O no hydrogen 3.278 N/A LEU 537.A N CYS 534.A O no hydrogen 3.195 N/A SER 538.A N ALA 535.A O no hydrogen 2.845 N/A SER 538.A OG ASP 528.A OD1 no hydrogen 2.684 N/A SER 538.A OG ASP 528.A OD2 no hydrogen 3.124 N/A SER 538.A OG TYR 551.A OH no hydrogen 3.206 N/A SER 539.A N ASP 528.A OD2 no hydrogen 3.040 N/A SER 539.A OG ASP 528.A OD2 no hydrogen 2.773 N/A PHE 540.A N ALA 535.A O no hydrogen 3.027 N/A LYS 543.A NZ PHE 478.A O no hydrogen 2.720 N/A LYS 543.A NZ ASP 481.A OD1 no hydrogen 3.060 N/A TYR 546.A N LEU 537.A O no hydrogen 3.369 N/A TYR 546.A OH THR 73.A O no hydrogen 2.879 N/A HIS 547.A N ASN 550.A OD1 no hydrogen 2.835 N/A HIS 549.A N HIS 547.A ND1 no hydrogen 3.171 N/A HIS 549.A NE2 VAL 485.A O no hydrogen 2.922 N/A ASN 550.A N HIS 547.A O no hydrogen 3.328 N/A ASN 550.A ND2 PRO 545.A O no hydrogen 3.187 N/A TYR 551.A N HIS 547.A O no hydrogen 3.020 N/A TYR 551.A OH ASP 528.A OD1 no hydrogen 2.641 N/A TYR 551.A OH SER 538.A OG no hydrogen 3.206 N/A LYS 553.A N ASN 550.A O no hydrogen 2.990 N/A LYS 553.A NZ HIS 549.A O no hydrogen 3.381 N/A PHE 554.A N ASN 550.A O no hydrogen 3.087 N/A ILE 555.A N TYR 551.A O no hydrogen 3.061 N/A ALA 556.A N PRO 552.A O no hydrogen 3.108 N/A ALA 557.A N LYS 553.A O no hydrogen 2.963 N/A GLY 558.A N PHE 554.A O no hydrogen 2.935 N/A ALA 559.A N ILE 555.A O no hydrogen 2.781 N/A GLY 560.A N ALA 556.A O no hydrogen 2.932 N/A THR 565.A OG1 ILE 548.A O no hydrogen 3.334 N/A LYS 567.A N ASP 564.A OD1 no hydrogen 2.719 N/A LEU 568.A N ASP 564.A O no hydrogen 3.011 N/A LYS 569.A N THR 565.A O no hydrogen 2.989 N/A LYS 569.A NZ GLU 566.A OE2 no hydrogen 3.192 N/A LYS 570.A N GLU 566.A O no hydrogen 3.016 N/A LYS 570.A NZ ASP 634.A O no hydrogen 3.282 N/A ALA 571.A N LYS 567.A O no hydrogen 3.123 N/A ALA 572.A N LEU 568.A O no hydrogen 2.994 N/A LYS 573.A N LYS 569.A O no hydrogen 3.104 N/A ARG 574.A N LYS 570.A O no hydrogen 2.859 N/A ARG 574.A N ALA 571.A O no hydrogen 2.908 N/A ARG 574.A NE LEU 635.A O no hydrogen 2.685 N/A ARG 574.A NH1 LEU 31.A O no hydrogen 3.021 N/A TYR 575.A N ALA 571.A O no hydrogen 3.329 N/A TYR 575.A OH TYR 526.A O no hydrogen 2.527 N/A ARG 576.A N ALA 572.A O no hydrogen 3.205 N/A ARG 576.A NE GLU 522.A OE1 no hydrogen 2.890 N/A ARG 576.A NH1 GLU 453.A OE2 no hydrogen 2.879 N/A ARG 576.A NH1 ARG 576.A O no hydrogen 2.853 N/A ARG 576.A NH2 THR 451.A O no hydrogen 3.187 N/A ARG 576.A NH2 GLU 453.A OE2 no hydrogen 3.434 N/A THR 577.A N LYS 573.A O no hydrogen 3.101 N/A THR 577.A N ARG 574.A O no hydrogen 3.286 N/A THR 577.A OG1 LYS 573.A O no hydrogen 2.704 N/A LEU 578.A N ARG 574.A O no hydrogen 3.046 N/A VAL 579.A N TYR 575.A O no hydrogen 3.077 N/A ARG 580.A N ARG 576.A O no hydrogen 3.307 N/A ARG 580.A NE GLY 625.A O no hydrogen 3.172 N/A ARG 580.A NH1 GLU 453.A OE2 no hydrogen 3.055 N/A ARG 580.A NH2 GLU 593.A OE1 no hydrogen 2.694 N/A ARG 580.A NH2 GLY 625.A O no hydrogen 3.432 N/A ALA 581.A N THR 577.A O no hydrogen 2.721 N/A PHE 582.A N LEU 578.A O no hydrogen 2.962 N/A ASN 583.A N VAL 579.A O no hydrogen 3.273 N/A ASN 583.A ND2 GLU 453.A OE1 no hydrogen 2.758 N/A ILE 584.A N ARG 580.A O no hydrogen 2.943 N/A ARG 585.A N ALA 581.A O no hydrogen 2.996 N/A ARG 585.A NH1 TRP 44.A O no hydrogen 2.987 N/A ARG 585.A NH1 GLU 643.A OE2 no hydrogen 3.054 N/A ARG 585.A NH2 TRP 44.A O no hydrogen 2.469 N/A ARG 586.A N ASN 583.A O no hydrogen 3.142 N/A ARG 586.A NE LYS 88.A O no hydrogen 2.911 N/A ARG 586.A NH1 VAL 51.A O no hydrogen 3.526 N/A ARG 586.A NH2 VAL 51.A O no hydrogen 2.912 N/A GLY 587.A N ILE 584.A O no hydrogen 3.024 N/A MET 588.A N ASN 583.A O no hydrogen 3.006 N/A ARG 589.A N ASP 592.A OD2 no hydrogen 2.761 N/A ARG 589.A NH1 ILE 584.A O no hydrogen 2.900 N/A ARG 589.A NH1 MET 588.A O no hydrogen 2.880 N/A ARG 590.A N ASP 624.A OD1 no hydrogen 3.425 N/A ARG 590.A NH1 ASP 613.A OD1 no hydrogen 2.694 N/A ARG 590.A NH1 ASP 623.A O no hydrogen 3.354 N/A ARG 590.A NH2 ASP 613.A OD1 no hydrogen 3.000 N/A ASP 592.A N ARG 589.A O no hydrogen 2.939 N/A GLU 593.A N ARG 590.A O no hydrogen 2.919 N/A GLN 594.A NE2 VAL 591.A O no hydrogen 2.984 N/A ASN 598.A ND2 HIS 425.A ND1 no hydrogen 3.173 N/A HIS 599.A N PRO 596.A O no hydrogen 3.176 N/A LYS 601.A N SER 439.A O no hydrogen 3.083 N/A ASN 602.A N SER 439.A O no hydrogen 2.973 N/A ARG 603.A NE GLU 608.A OE2 no hydrogen 2.691 N/A ARG 603.A NH1 PRO 596.A O no hydrogen 3.480 N/A ARG 603.A NH2 GLU 608.A OE1 no hydrogen 3.049 N/A PHE 604.A N GLU 608.A OE2 no hydrogen 3.147 N/A GLU 608.A N PHE 604.A O no hydrogen 2.867 N/A LYS 609.A N PRO 605.A O no hydrogen 2.857 N/A LYS 609.A NZ ASP 613.A OD2 no hydrogen 2.929 N/A GLU 610.A N GLU 606.A O no hydrogen 3.194 N/A LEU 611.A N LEU 607.A O no hydrogen 2.923 N/A LEU 612.A N GLU 608.A O no hydrogen 3.065 N/A ASP 613.A N LYS 609.A O no hydrogen 2.923 N/A SER 614.A N GLU 610.A O no hydrogen 2.993 N/A SER 614.A OG GLU 610.A O no hydrogen 2.822 N/A TYR 615.A N LEU 611.A O no hydrogen 2.989 N/A TYR 616.A N LEU 612.A O no hydrogen 3.130 N/A TYR 616.A OH GLU 593.A OE1 no hydrogen 2.324 N/A LYS 617.A N ASP 613.A O no hydrogen 3.265 N/A LEU 618.A N SER 614.A O no hydrogen 3.166 N/A LYS 619.A N TYR 615.A O no hydrogen 2.942 N/A LYS 619.A NZ ASP 519.A OD1 no hydrogen 2.621 N/A LYS 619.A NZ GLU 522.A OE1 no hydrogen 3.327 N/A LYS 619.A NZ TYR 615.A OH no hydrogen 3.202 N/A GLY 620.A N TYR 616.A O no hydrogen 2.837 N/A TRP 621.A N TYR 616.A O no hydrogen 2.773 N/A ASN 622.A N ILE 626.A O no hydrogen 2.398 N/A THR 628.A N GLY 620.A O no hydrogen 3.321 N/A THR 628.A OG1 GLY 620.A O no hydrogen 3.431 N/A THR 628.A OG1 THR 631.A OG1 no hydrogen 3.206 N/A LYS 629.A NZ ASP 642.A OD1 no hydrogen 2.503 N/A THR 631.A N THR 628.A OG1 no hydrogen 3.269 N/A THR 631.A OG1 GLY 620.A O no hydrogen 2.988 N/A THR 631.A OG1 THR 628.A O no hydrogen 3.207 N/A THR 631.A OG1 THR 628.A OG1 no hydrogen 3.206 N/A LEU 632.A N THR 628.A O no hydrogen 3.199 N/A ASP 633.A N LYS 629.A O no hydrogen 3.118 N/A ASP 634.A N GLU 630.A O no hydrogen 3.103 N/A LEU 635.A N THR 631.A O no hydrogen 3.049 N/A LEU 635.A N LEU 632.A O no hydrogen 3.299 N/A GLY 636.A N ASP 633.A O no hydrogen 3.316 N/A LEU 637.A N LEU 632.A O no hydrogen 2.668 N/A TYR 639.A OH TYR 32.A OH no hydrogen 2.525 N/A VAL 640.A N LEU 637.A O no hydrogen 3.156 N/A GLY 641.A N LEU 637.A O no hydrogen 3.366 N/A ASP 642.A N GLY 638.A O no hydrogen 3.006 N/A GLU 643.A N TYR 639.A O no hydrogen 3.216 N/A PHE 644.A N VAL 640.A O no hydrogen 2.907 N/A ILE 645.A N GLY 641.A O no hydrogen 3.140 N/A LYS 646.A N ASP 642.A O no hydrogen 2.938 N/A ARG 647.A N GLU 643.A O no hydrogen 2.924 N/A ARG 647.A NE GLU 643.A OE2 no hydrogen 2.839 N/A ARG 647.A NH2 GLU 643.A OE2 no hydrogen 2.907 N/A GLY 648.A N ILE 645.A O no hydrogen 2.886 N/A LEU 650.A N PHE 644.A O no hydrogen 3.088 N/A