Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2h1j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 5.A OE2 no hydrogen 3.277 N/A GLU 5.A N LYS 2.A O no hydrogen 3.110 N/A PHE 6.A N PHE 3.A O no hydrogen 2.888 N/A ARG 7.A N TYR 326.A OH no hydrogen 2.829 N/A TYR 8.A OH GLU 71.A OE1 no hydrogen 2.345 N/A ARG 10.A NH1 GLU 71.A OE1 no hydrogen 2.809 N/A GLN 15.A N ASP 12.A OD1 no hydrogen 2.987 N/A LEU 16.A N ASP 12.A O no hydrogen 3.116 N/A GLN 17.A N ILE 13.A O no hydrogen 3.049 N/A ALA 18.A N ALA 14.A O no hydrogen 3.085 N/A SER 19.A N GLN 15.A O no hydrogen 3.042 N/A SER 19.A OG GLN 15.A O no hydrogen 3.156 N/A PHE 20.A N LEU 16.A O no hydrogen 2.698 N/A GLN 21.A N GLN 17.A O no hydrogen 2.876 N/A GLU 22.A N ALA 18.A O no hydrogen 2.982 N/A ALA 23.A N SER 19.A O no hydrogen 2.976 N/A LEU 24.A N PHE 20.A O no hydrogen 2.956 N/A ASP 25.A N GLN 21.A O no hydrogen 3.020 N/A SER 26.A N GLU 22.A O no hydrogen 3.176 N/A SER 26.A OG GLU 22.A O no hydrogen 2.967 N/A SER 26.A OG ALA 23.A O no hydrogen 3.445 N/A PHE 27.A N ALA 23.A O no hydrogen 2.930 N/A ARG 28.A N LEU 24.A O no hydrogen 2.784 N/A ARG 29.A N ASP 25.A O no hydrogen 2.684 N/A ALA 30.A N PHE 27.A O no hydrogen 3.466 N/A LEU 35.A N SER 32.A OG no hydrogen 2.859 N/A GLN 36.A N SER 32.A O no hydrogen 3.392 N/A GLN 36.A NE2 SER 96.A OG no hydrogen 2.665 N/A HIS 37.A N ALA 33.A O no hydrogen 3.141 N/A GLU 38.A N ALA 34.A O no hydrogen 3.414 N/A ALA 39.A N LEU 35.A O no hydrogen 3.106 N/A LYS 40.A NZ GLU 38.A OE1 no hydrogen 3.373 N/A ARG 41.A N GLU 38.A O no hydrogen 3.174 N/A ILE 42.A N ALA 39.A O no hydrogen 2.963 N/A GLU 44.A N LYS 40.A O no hydrogen 2.791 N/A LEU 45.A N ARG 41.A O no hydrogen 3.120 N/A ARG 46.A N ILE 42.A O no hydrogen 3.054 N/A ARG 46.A NH1 ASN 43.A OD1 no hydrogen 2.721 N/A ARG 46.A NH1 GLU 365.A OE2 no hydrogen 3.007 N/A ARG 46.A NH2 GLU 365.A OE2 no hydrogen 2.603 N/A ARG 47.A N ASN 43.A O no hydrogen 2.927 N/A ARG 47.A NH1 ASP 362.A O no hydrogen 3.240 N/A ARG 47.A NH2 TYR 361.A O no hydrogen 2.973 N/A ARG 48.A N GLU 44.A O no hydrogen 3.174 N/A ARG 48.A NH2 GLU 44.A OE2 no hydrogen 3.244 N/A TYR 49.A N LEU 45.A O no hydrogen 3.183 N/A TYR 49.A OH THR 78.A OG1 no hydrogen 2.960 N/A SER 50.A N ARG 46.A O no hydrogen 2.764 N/A SER 50.A OG ASP 324.A OD2 no hydrogen 2.912 N/A THR 51.A N ARG 47.A O no hydrogen 2.814 N/A THR 51.A OG1 ARG 47.A O no hydrogen 2.488 N/A ASN 53.A N SER 50.A O no hydrogen 2.992 N/A ASN 53.A ND2 TYR 322.A O no hydrogen 3.048 N/A LEU 54.A N THR 51.A O no hydrogen 2.835 N/A HIS 56.A N ALA 52.A O no hydrogen 2.757 N/A ILE 57.A N ASN 53.A O no hydrogen 2.980 N/A ARG 58.A N LEU 54.A O no hydrogen 3.330 N/A ARG 58.A NH1 PHE 6.A O no hydrogen 3.315 N/A ARG 58.A NH1 TYR 68.A OH no hydrogen 3.228 N/A ARG 58.A NH2 PHE 3.A O no hydrogen 3.012 N/A ARG 58.A NH2 PHE 6.A O no hydrogen 2.922 N/A HIS 59.A N CYS 55.A O no hydrogen 2.928 N/A THR 60.A N HIS 56.A O no hydrogen 2.966 N/A THR 60.A OG1 HIS 56.A O no hydrogen 2.741 N/A THR 60.A OG1 ILE 57.A O no hydrogen 3.069 N/A THR 60.A OG1 TYR 319.A OH no hydrogen 2.634 N/A ILE 61.A N ILE 57.A O no hydrogen 2.905 N/A THR 63.A N GLY 313.A O no hydrogen 3.125 N/A THR 63.A OG1 GLY 313.A O no hydrogen 2.648 N/A ASN 64.A N ASP 62.A OD2 no hydrogen 3.245 N/A ASN 64.A ND2 ASP 62.A OD2 no hydrogen 3.454 N/A ASP 65.A N ASP 62.A O no hydrogen 3.205 N/A TYR 68.A N ASP 65.A OD2 no hydrogen 3.456 N/A LYS 69.A N ASP 65.A O no hydrogen 2.874 N/A LYS 69.A NZ GLU 66.A OE2 no hydrogen 2.946 N/A LYS 70.A N GLU 66.A O no hydrogen 3.051 N/A GLU 71.A N PHE 67.A O no hydrogen 3.026 N/A GLN 72.A N TYR 68.A O no hydrogen 2.864 N/A GLN 72.A NE2 ASP 76.A OD1 no hydrogen 3.331 N/A ASP 73.A N LYS 69.A O no hydrogen 3.247 N/A PHE 74.A N LYS 70.A O no hydrogen 3.127 N/A PHE 75.A N GLU 71.A O no hydrogen 3.104 N/A ASP 76.A N GLN 72.A O no hydrogen 2.941 N/A GLU 77.A N ASP 73.A O no hydrogen 2.932 N/A THR 78.A N PHE 74.A O no hydrogen 2.750 N/A THR 78.A OG1 TYR 49.A OH no hydrogen 2.960 N/A THR 78.A OG1 PHE 74.A O no hydrogen 2.823 N/A GLU 79.A N PHE 75.A O no hydrogen 2.891 N/A VAL 81.A N THR 78.A O no hydrogen 2.886 N/A VAL 82.A N THR 78.A O no hydrogen 3.241 N/A LYS 83.A N GLU 79.A O no hydrogen 2.779 N/A GLY 84.A N PRO 80.A O no hydrogen 3.271 N/A LEU 85.A N VAL 81.A O no hydrogen 3.055 N/A VAL 86.A N VAL 82.A O no hydrogen 2.841 N/A ASN 87.A N LYS 83.A O no hydrogen 2.797 N/A ASP 88.A N GLY 84.A O no hydrogen 2.895 N/A TYR 89.A N LEU 85.A O no hydrogen 3.099 N/A TYR 90.A N VAL 86.A O no hydrogen 2.865 N/A TYR 90.A OH GLU 365.A OE2 no hydrogen 2.307 N/A ARG 91.A N ASN 87.A O no hydrogen 3.002 N/A ARG 91.A NH1 ASN 87.A OD1 no hydrogen 3.366 N/A ARG 91.A NH2 ASN 87.A OD1 no hydrogen 3.302 N/A ALA 92.A N ASP 88.A O no hydrogen 3.293 N/A LEU 93.A N TYR 89.A O no hydrogen 3.028 N/A VAL 94.A N TYR 90.A O no hydrogen 2.967 N/A SER 96.A N LEU 93.A O no hydrogen 2.989 N/A SER 96.A OG GLN 36.A OE1 no hydrogen 2.823 N/A PHE 98.A N SER 96.A OG no hydrogen 2.910 N/A ARG 99.A N SER 96.A O no hydrogen 2.793 N/A ARG 99.A NH1 VAL 94.A O no hydrogen 3.076 N/A ARG 99.A NH1 GLU 115.A OE2 no hydrogen 2.928 N/A ARG 99.A NH2 GLU 115.A OE2 no hydrogen 2.911 N/A LEU 102.A N PHE 98.A O no hydrogen 2.931 N/A GLU 103.A N ARG 99.A O no hydrogen 2.834 N/A GLN 104.A N ALA 100.A O no hydrogen 3.216 N/A VAL 105.A N LEU 102.A O no hydrogen 2.943 N/A TRP 106.A N LEU 102.A O no hydrogen 2.999 N/A TRP 106.A NE1 ASP 362.A OD1 no hydrogen 3.109 N/A GLY 107.A N GLU 103.A O no hydrogen 2.692 N/A LEU 110.A N TYR 366.A OH no hydrogen 3.110 N/A ALA 112.A N LYS 108.A O no hydrogen 2.780 N/A LEU 113.A N GLN 109.A O no hydrogen 2.767 N/A ALA 114.A N LEU 110.A O no hydrogen 3.083 N/A GLU 115.A N PHE 111.A O no hydrogen 2.862 N/A THR 116.A N ALA 112.A O no hydrogen 3.181 N/A THR 116.A OG1 ALA 112.A O no hydrogen 2.991 N/A THR 116.A OG1 LEU 113.A O no hydrogen 3.438 N/A GLN 117.A N LEU 113.A O no hydrogen 3.074 N/A LEU 118.A N ALA 114.A O no hydrogen 3.117 N/A THR 120.A N GLN 117.A O no hydrogen 2.942 N/A THR 120.A OG1 GLN 117.A O no hydrogen 2.757 N/A ILE 125.A N ALA 122.A O no hydrogen 2.943 N/A VAL 126.A N PRO 123.A O no hydrogen 3.165 N/A LEU 129.A N ILE 125.A O no hydrogen 3.030 N/A GLN 130.A N VAL 126.A O no hydrogen 2.993 N/A LYS 131.A N GLU 127.A O no hydrogen 3.137 N/A LYS 131.A NZ GLU 194.A OE2 no hydrogen 3.097 N/A GLU 132.A N ASP 128.A O no hydrogen 2.896 N/A ASN 133.A N LEU 129.A O no hydrogen 3.004 N/A ASN 133.A ND2 ASP 76.A O no hydrogen 2.941 N/A ASN 133.A ND2 GLU 79.A OE1 no hydrogen 3.154 N/A LYS 134.A N GLN 130.A O no hydrogen 3.068 N/A LEU 135.A N LYS 131.A O no hydrogen 2.941 N/A ALA 136.A N GLU 132.A O no hydrogen 3.041 N/A SER 137.A N ASN 133.A O no hydrogen 3.041 N/A SER 137.A OG ASP 76.A OD1 no hydrogen 3.194 N/A SER 137.A OG ASP 76.A OD2 no hydrogen 2.667 N/A SER 137.A OG ASN 133.A O no hydrogen 3.232 N/A GLU 138.A N LYS 134.A O no hydrogen 2.995 N/A TYR 139.A N LEU 135.A O no hydrogen 3.139 N/A TYR 139.A OH GLN 462.A O no hydrogen 2.647 N/A THR 140.A N ALA 136.A O no hydrogen 3.268 N/A THR 140.A OG1 SER 137.A O no hydrogen 3.187 N/A LYS 141.A N SER 137.A O no hydrogen 2.856 N/A LEU 142.A N GLU 138.A O no hydrogen 3.075 N/A ILE 143.A N TYR 139.A O no hydrogen 3.122 N/A ALA 144.A N THR 140.A O no hydrogen 2.939 N/A SER 145.A N LEU 142.A O no hydrogen 3.063 N/A SER 145.A OG LEU 142.A O no hydrogen 2.705 N/A ALA 146.A N ILE 143.A O no hydrogen 3.288 N/A ILE 148.A N ARG 154.A O no hydrogen 2.874 N/A ARG 154.A N ILE 148.A O no hydrogen 2.774 N/A ARG 154.A NH1 PHE 149.A O no hydrogen 2.561 N/A ARG 154.A NH1 GLU 150.A O no hydrogen 3.223 N/A GLN 158.A N THR 155.A OG1 no hydrogen 3.417 N/A LEU 159.A N LEU 156.A O no hydrogen 3.320 N/A GLN 160.A N ALA 157.A O no hydrogen 2.943 N/A GLN 160.A NE2 GLU 164.A OE2 no hydrogen 2.862 N/A PHE 162.A N LEU 159.A O no hydrogen 2.936 N/A VAL 163.A N LEU 159.A O no hydrogen 2.946 N/A GLU 164.A N GLN 160.A O no hydrogen 2.903 N/A SER 165.A N PHE 162.A O no hydrogen 3.175 N/A ASP 167.A N SER 165.A OG no hydrogen 3.046 N/A ARG 168.A NE ASP 263.A OD1 no hydrogen 2.931 N/A ARG 168.A NE ASP 263.A OD2 no hydrogen 3.310 N/A ARG 168.A NH2 ASP 263.A OD2 no hydrogen 2.716 N/A ALA 169.A N ASP 167.A OD1 no hydrogen 3.101 N/A ARG 170.A NE SER 165.A O no hydrogen 2.634 N/A ARG 170.A NH1 TYR 262.A O no hydrogen 3.366 N/A ARG 170.A NH1 ASP 263.A OD1 no hydrogen 2.600 N/A GLN 171.A N ARG 168.A O no hydrogen 3.279 N/A ARG 172.A N ALA 169.A O no hydrogen 3.245 N/A SER 174.A N ARG 170.A O no hydrogen 2.942 N/A SER 174.A OG ARG 170.A O no hydrogen 3.506 N/A GLU 175.A N GLN 171.A O no hydrogen 2.854 N/A ALA 176.A N ARG 172.A O no hydrogen 2.915 N/A ARG 177.A N ALA 173.A O no hydrogen 2.893 N/A ARG 177.A NH1 GLN 160.A OE1 no hydrogen 3.075 N/A ARG 177.A NH2 LEU 156.A O no hydrogen 3.154 N/A ARG 177.A NH2 GLN 160.A OE1 no hydrogen 2.768 N/A PHE 178.A N SER 174.A O no hydrogen 2.979 N/A SER 179.A N GLU 175.A O no hydrogen 2.539 N/A SER 179.A OG ALA 176.A O no hydrogen 2.728 N/A LYS 182.A N PHE 178.A O no hydrogen 2.801 N/A ASP 183.A N SER 179.A O no hydrogen 3.040 N/A TYR 184.A N PHE 180.A O no hydrogen 3.110 N/A GLU 185.A N LYS 182.A O no hydrogen 3.113 N/A LEU 188.A N TYR 184.A O no hydrogen 2.838 N/A ASP 189.A N GLU 185.A O no hydrogen 2.835 N/A GLU 190.A N LYS 186.A O no hydrogen 3.180 N/A LEU 191.A N GLU 187.A O no hydrogen 2.855 N/A TYR 192.A N LEU 188.A O no hydrogen 3.117 N/A ASP 193.A N ASP 189.A O no hydrogen 2.857 N/A GLU 194.A N GLU 190.A O no hydrogen 2.753 N/A LEU 195.A N LEU 191.A O no hydrogen 3.080 N/A VAL 196.A N TYR 192.A O no hydrogen 2.819 N/A HIS 197.A N ASP 193.A O no hydrogen 3.107 N/A VAL 198.A N GLU 194.A O no hydrogen 2.997 N/A ARG 199.A N LEU 195.A O no hydrogen 2.864 N/A ARG 199.A NH1 GLU 132.A OE2 no hydrogen 2.694 N/A ARG 199.A NH2 TYR 468.A O no hydrogen 2.344 N/A THR 200.A N VAL 196.A O no hydrogen 2.986 N/A THR 200.A OG1 VAL 196.A O no hydrogen 2.760 N/A ALA 201.A N HIS 197.A O no hydrogen 2.899 N/A ILE 202.A N VAL 198.A O no hydrogen 2.834 N/A ALA 203.A N ARG 199.A O no hydrogen 2.965 N/A ARG 204.A N THR 200.A O no hydrogen 2.789 N/A ARG 204.A NE GLN 209.A O no hydrogen 3.243 N/A ARG 204.A NH2 GLN 209.A O no hydrogen 3.520 N/A LYS 205.A N ALA 201.A O no hydrogen 2.913 N/A LYS 205.A NZ ASP 128.A OD2 no hydrogen 3.092 N/A LEU 206.A N ILE 202.A O no hydrogen 3.078 N/A GLY 207.A N ARG 204.A O no hydrogen 3.059 N/A PHE 208.A N ALA 203.A O no hydrogen 2.806 N/A GLY 215.A N PHE 211.A O no hydrogen 2.746 N/A TYR 216.A N VAL 212.A O no hydrogen 3.252 N/A ALA 217.A N GLU 213.A O no hydrogen 3.236 N/A ARG 218.A N LEU 214.A O no hydrogen 2.794 N/A ARG 218.A NH1 GLU 132.A OE2 no hydrogen 2.756 N/A ARG 218.A NH2 GLU 132.A OE1 no hydrogen 3.005 N/A LEU 219.A N GLY 215.A O no hydrogen 3.157 N/A GLY 220.A N ALA 217.A O no hydrogen 3.034 N/A ARG 221.A N TYR 216.A O no hydrogen 3.345 N/A ARG 221.A NH2 PHE 472.A O no hydrogen 2.944 N/A TYR 224.A OH GLU 372.A OE1 no hydrogen 2.588 N/A ALA 229.A N ALA 226.A O no hydrogen 2.997 N/A GLY 230.A N ASP 227.A O no hydrogen 3.110 N/A TYR 231.A OH THR 478.A O no hydrogen 2.687 N/A ARG 232.A N VAL 228.A O no hydrogen 3.001 N/A ARG 232.A NH1 ASP 416.A OD2 no hydrogen 2.628 N/A ARG 233.A N ALA 229.A O no hydrogen 3.218 N/A GLN 234.A N GLY 230.A O no hydrogen 3.154 N/A GLN 234.A NE2 PRO 526.A O no hydrogen 3.209 N/A VAL 235.A N TYR 231.A O no hydrogen 3.029 N/A LYS 236.A N ARG 232.A O no hydrogen 2.769 N/A LYS 236.A NZ ALA 442.A O no hydrogen 3.483 N/A THR 237.A N ARG 233.A O no hydrogen 2.871 N/A THR 237.A OG1 ARG 233.A O no hydrogen 2.815 N/A HIS 238.A N GLN 234.A O no hydrogen 2.991 N/A ILE 239.A N VAL 235.A O no hydrogen 2.939 N/A ALA 243.A N ILE 239.A O no hydrogen 2.768 N/A ALA 244.A N VAL 240.A O no hydrogen 2.976 N/A LYS 245.A N PRO 241.A O no hydrogen 3.109 N/A LYS 245.A NZ GLU 540.A OE1 no hydrogen 2.931 N/A LYS 245.A NZ ASP 544.A OD1 no hydrogen 2.932 N/A LEU 246.A N LEU 242.A O no hydrogen 2.955 N/A ARG 247.A N ALA 243.A O no hydrogen 3.022 N/A ARG 247.A NH2 GLU 264.A O no hydrogen 3.098 N/A GLU 248.A N ALA 244.A O no hydrogen 3.027 N/A ARG 249.A N LYS 245.A O no hydrogen 2.980 N/A GLN 250.A N LEU 246.A O no hydrogen 2.862 N/A ARG 251.A N ARG 247.A O no hydrogen 2.785 N/A ARG 251.A NE GLU 248.A OE1 no hydrogen 3.301 N/A ARG 251.A NE GLU 248.A OE2 no hydrogen 2.955 N/A ARG 251.A NH1 GLU 257.A O no hydrogen 3.081 N/A ARG 251.A NH2 GLU 248.A OE1 no hydrogen 2.642 N/A GLN 252.A N GLU 248.A O no hydrogen 3.196 N/A ARG 253.A N ARG 249.A O no hydrogen 2.975 N/A ARG 253.A N GLN 250.A O no hydrogen 2.903 N/A ARG 253.A NE ASP 548.A OD1 no hydrogen 2.750 N/A ARG 253.A NH2 ASP 548.A OD1 no hydrogen 3.106 N/A ILE 254.A N GLN 250.A O no hydrogen 3.146 N/A TYR 260.A N ASP 263.A OD2 no hydrogen 3.000 N/A TYR 261.A N ASP 448.A O no hydrogen 2.995 N/A ASP 263.A N TYR 260.A O no hydrogen 2.781 N/A GLU 264.A N TYR 260.A O no hydrogen 3.056 N/A GLU 264.A N TYR 261.A O no hydrogen 3.343 N/A PHE 266.A N ASP 263.A O no hydrogen 2.842 N/A GLY 270.A N PHE 267.A O no hydrogen 2.875 N/A ASN 271.A ND2 GLU 164.A OE1 no hydrogen 3.010 N/A ASN 271.A ND2 PRO 265.A O no hydrogen 3.080 N/A LYS 275.A N PHE 389.A O no hydrogen 3.033 N/A TRP 280.A N ASP 277.A OD2 no hydrogen 3.144 N/A ILE 281.A N ASP 277.A O no hydrogen 2.889 N/A VAL 282.A N ALA 278.A O no hydrogen 2.947 N/A GLN 283.A N ASP 279.A O no hydrogen 2.868 N/A ASN 284.A N TRP 280.A O no hydrogen 3.115 N/A GLY 285.A N ILE 281.A O no hydrogen 2.837 N/A ARG 286.A N VAL 282.A O no hydrogen 2.947 N/A GLN 287.A N GLN 283.A O no hydrogen 3.130 N/A GLU 289.A N ARG 286.A O no hydrogen 3.029 N/A GLU 290.A N GLN 287.A O no hydrogen 2.905 N/A SER 292.A N TYR 288.A O no hydrogen 3.467 N/A SER 292.A OG THR 295.A OG1 no hydrogen 2.665 N/A GLU 294.A N GLU 294.A OE1 no hydrogen 2.717 N/A THR 295.A N SER 292.A OG no hydrogen 3.048 N/A THR 295.A OG1 TYR 288.A O no hydrogen 2.732 N/A THR 295.A OG1 SER 292.A O no hydrogen 3.149 N/A THR 295.A OG1 SER 292.A OG no hydrogen 2.665 N/A GLY 296.A N SER 292.A O no hydrogen 2.940 N/A GLU 297.A N PRO 293.A O no hydrogen 3.210 N/A PHE 298.A N GLU 294.A O no hydrogen 3.211 N/A PHE 299.A N THR 295.A O no hydrogen 2.985 N/A ARG 300.A N GLY 296.A O no hydrogen 3.118 N/A TYR 301.A N GLU 297.A O no hydrogen 2.902 N/A TYR 301.A OH LYS 327.A O no hydrogen 3.255 N/A GLU 303.A N ARG 300.A O no hydrogen 3.018 N/A HIS 304.A N TYR 301.A O no hydrogen 3.223 N/A GLU 305.A N VAL 302.A O no hydrogen 2.975 N/A ASP 307.A N ILE 331.A O no hydrogen 2.999 N/A ALA 310.A N PHE 335.A O no hydrogen 3.022 N/A LYS 311.A NZ ASP 307.A OD1 no hydrogen 2.673 N/A LYS 311.A NZ ASP 307.A OD2 no hydrogen 3.202 N/A LYS 314.A N LYS 311.A O no hydrogen 3.347 N/A LYS 314.A NZ ASP 307.A O no hydrogen 3.040 N/A LYS 314.A NZ ASP 307.A OD1 no hydrogen 2.793 N/A LYS 314.A NZ VAL 309.A O no hydrogen 2.854 N/A LYS 314.A NZ SER 333.A O no hydrogen 2.712 N/A ALA 315.A N THR 60.A O no hydrogen 2.846 N/A TYR 319.A N PHE 332.A O no hydrogen 2.934 N/A TYR 319.A OH THR 60.A OG1 no hydrogen 2.634 N/A CYS 320.A SG PHE 330.A O no hydrogen 3.768 N/A THR 321.A N PHE 330.A O no hydrogen 3.234 N/A ILE 323.A N ALA 328.A O no hydrogen 2.704 N/A ASP 325.A N THR 51.A OG1 no hydrogen 2.983 N/A TYR 326.A N ILE 323.A O no hydrogen 3.126 N/A LYS 327.A N ASP 324.A O no hydrogen 2.820 N/A ALA 328.A N ILE 323.A O no hydrogen 3.264 N/A PHE 330.A N THR 321.A O no hydrogen 2.830 N/A ILE 331.A N LEU 306.A O no hydrogen 3.099 N/A PHE 332.A N TYR 319.A O no hydrogen 2.949 N/A SER 333.A N ASP 307.A O no hydrogen 3.151 N/A SER 333.A OG LEU 308.A O no hydrogen 3.052 N/A ASN 334.A ND2 ALA 315.A O no hydrogen 3.462 N/A PHE 335.A N LEU 308.A O no hydrogen 2.673 N/A THR 336.A N ASP 341.A OD1 no hydrogen 2.860 N/A GLY 337.A N ASP 341.A OD2 no hydrogen 2.672 N/A GLY 340.A N THR 338.A OG1 no hydrogen 3.039 N/A ASP 341.A N THR 338.A O no hydrogen 3.146 N/A ILE 342.A N SER 339.A O no hydrogen 3.030 N/A ASP 343.A N SER 339.A O no hydrogen 3.204 N/A VAL 344.A N GLY 340.A O no hydrogen 2.972 N/A LEU 345.A N ASP 341.A O no hydrogen 3.141 N/A THR 346.A N ILE 342.A O no hydrogen 2.940 N/A THR 346.A OG1 THR 383.A OG1 no hydrogen 2.997 N/A HIS 347.A N ASP 343.A O no hydrogen 3.089 N/A HIS 347.A ND1 GLU 380.A OE1 no hydrogen 3.238 N/A HIS 347.A NE2 HIS 351.A NE2 no hydrogen 2.957 N/A GLU 348.A N VAL 344.A O no hydrogen 2.707 N/A ALA 349.A N LEU 345.A O no hydrogen 2.855 N/A GLY 350.A N HIS 347.A O no hydrogen 3.021 N/A HIS 351.A N HIS 347.A O no hydrogen 3.430 N/A HIS 351.A NE2 HIS 347.A NE2 no hydrogen 2.957 N/A ALA 352.A N GLU 348.A O no hydrogen 2.894 N/A PHE 353.A N ALA 349.A O no hydrogen 2.802 N/A GLN 354.A N GLY 350.A O no hydrogen 3.147 N/A GLN 354.A NE2 CYS 506.A O no hydrogen 3.241 N/A VAL 355.A N HIS 351.A O no hydrogen 3.070 N/A TYR 356.A N ALA 352.A O no hydrogen 2.872 N/A GLU 357.A N PHE 353.A O no hydrogen 2.946 N/A SER 358.A N GLN 354.A O no hydrogen 2.871 N/A SER 358.A N VAL 355.A O no hydrogen 3.227 N/A SER 358.A OG GLN 354.A O no hydrogen 3.207 N/A SER 358.A OG CYS 506.A O no hydrogen 2.949 N/A ARG 359.A NE TYR 356.A O no hydrogen 3.092 N/A ARG 359.A NH1 LYS 327.A O no hydrogen 3.432 N/A TYR 361.A N SER 358.A O no hydrogen 3.488 N/A TYR 361.A OH ARG 507.A O no hydrogen 2.576 N/A TYR 361.A OH LEU 508.A O no hydrogen 3.253 N/A GLU 365.A N GLU 365.A OE1 no hydrogen 2.919 N/A TYR 366.A N ILE 363.A O no hydrogen 3.105 N/A TYR 366.A OH TRP 106.A O no hydrogen 2.492 N/A ASN 367.A N PRO 364.A O no hydrogen 3.048 N/A THR 370.A OG1 GLU 372.A OE2 no hydrogen 2.406 N/A ALA 373.A N GLU 372.A OE2 no hydrogen 2.961 N/A CYS 374.A N THR 370.A O no hydrogen 3.067 N/A CYS 374.A SG PRO 369.A O no hydrogen 3.130 N/A CYS 374.A SG THR 370.A O no hydrogen 3.733 N/A GLU 375.A N LEU 371.A O no hydrogen 2.972 N/A ILE 376.A N ALA 373.A O no hydrogen 2.874 N/A SER 378.A OG GLU 375.A O no hydrogen 3.469 N/A SER 378.A OG GLU 375.A OE1 no hydrogen 2.555 N/A SER 379.A OG ILE 376.A O no hydrogen 2.701 N/A PHE 381.A N SER 379.A O no hydrogen 2.828 N/A PHE 382.A N SER 379.A O no hydrogen 2.998 N/A THR 383.A OG1 THR 346.A OG1 no hydrogen 2.997 N/A TRP 384.A N PHE 381.A O no hydrogen 2.879 N/A TRP 384.A NE1 HIS 401.A ND1 no hydrogen 3.048 N/A TRP 386.A N THR 383.A O no hydrogen 2.948 N/A TRP 386.A NE1 GLU 290.A OE1 no hydrogen 2.888 N/A LEU 388.A N TRP 386.A O no hydrogen 2.938 N/A GLY 391.A N GLU 387.A O no hydrogen 2.923 N/A ASP 393.A N PHE 390.A O no hydrogen 3.018 N/A ALA 394.A N GLY 391.A O no hydrogen 3.189 N/A LYS 396.A NZ THR 269.A OG1 no hydrogen 2.708 N/A LYS 396.A NZ LEU 551.A OXT no hydrogen 3.045 N/A TYR 397.A N ASP 393.A O no hydrogen 2.790 N/A TYR 397.A OH ASP 343.A OD1 no hydrogen 3.178 N/A ARG 398.A N ALA 394.A O no hydrogen 2.799 N/A ARG 398.A NE TRP 384.A O no hydrogen 2.882 N/A ARG 398.A NH1 ASP 395.A OD1 no hydrogen 2.948 N/A ARG 398.A NH2 GLU 387.A OE1 no hydrogen 3.394 N/A PHE 399.A N ASP 395.A O no hydrogen 2.969 N/A ALA 400.A N LYS 396.A O no hydrogen 2.850 N/A HIS 401.A N TYR 397.A O no hydrogen 2.797 N/A HIS 401.A NE2 GLU 380.A OE2 no hydrogen 2.921 N/A LEU 402.A N ARG 398.A O no hydrogen 3.118 N/A SER 403.A N PHE 399.A O no hydrogen 2.972 N/A SER 403.A OG PHE 399.A O no hydrogen 3.319 N/A ASP 404.A N ALA 400.A O no hydrogen 2.804 N/A ALA 405.A N HIS 401.A O no hydrogen 2.986 N/A LEU 406.A N LEU 402.A O no hydrogen 3.327 N/A LEU 406.A N SER 403.A O no hydrogen 3.215 N/A LEU 407.A N SER 403.A O no hydrogen 3.011 N/A PHE 408.A N ASP 404.A O no hydrogen 2.984 N/A LEU 409.A N LEU 406.A O no hydrogen 3.003 N/A TYR 411.A OH GLN 464.A OE1 no hydrogen 2.482 N/A GLY 412.A N PHE 408.A O no hydrogen 2.926 N/A VAL 413.A N LEU 409.A O no hydrogen 3.028 N/A ALA 414.A N PRO 410.A O no hydrogen 3.090 N/A VAL 415.A N TYR 411.A O no hydrogen 2.890 N/A ASP 416.A N GLY 412.A O no hydrogen 3.000 N/A GLU 417.A N VAL 413.A O no hydrogen 2.974 N/A PHE 418.A N ALA 414.A O no hydrogen 2.826 N/A GLN 419.A N VAL 415.A O no hydrogen 3.240 N/A GLN 419.A NE2 PRO 471.A O no hydrogen 3.094 N/A HIS 420.A N ASP 416.A O no hydrogen 3.153 N/A ALA 421.A N GLU 417.A O no hydrogen 3.020 N/A VAL 422.A N PHE 418.A O no hydrogen 2.883 N/A TYR 423.A N GLN 419.A O no hydrogen 2.935 N/A GLU 424.A N HIS 420.A O no hydrogen 3.068 N/A ASN 425.A N ALA 421.A O no hydrogen 3.290 N/A ASN 425.A ND2 ALA 421.A O no hydrogen 2.772 N/A THR 428.A N GLU 431.A OE2 no hydrogen 3.215 N/A GLU 431.A N THR 428.A OG1 no hydrogen 3.368 N/A ARG 432.A N THR 428.A O no hydrogen 3.107 N/A ARG 432.A NH1 ASP 193.A OD1 no hydrogen 3.035 N/A ARG 432.A NH2 ASP 193.A OD1 no hydrogen 2.722 N/A LYS 433.A N PRO 429.A O no hydrogen 3.323 N/A LYS 433.A NZ GLU 185.A OE1 no hydrogen 2.626 N/A LYS 433.A NZ ASP 189.A OD1 no hydrogen 3.242 N/A LYS 433.A NZ ASP 189.A OD2 no hydrogen 2.757 N/A SER 434.A N ALA 430.A O no hydrogen 3.326 N/A VAL 435.A N GLU 431.A O no hydrogen 3.044 N/A TRP 436.A N ARG 432.A O no hydrogen 2.920 N/A TRP 436.A NE1 GLU 440.A OE2 no hydrogen 2.919 N/A ARG 437.A N LYS 433.A O no hydrogen 2.896 N/A ARG 437.A NE GLU 456.A O no hydrogen 3.144 N/A ARG 437.A NE GLU 456.A OE2 no hydrogen 2.941 N/A ARG 437.A NH2 GLU 456.A OE1 no hydrogen 3.426 N/A ARG 437.A NH2 GLU 456.A OE2 no hydrogen 3.255 N/A ASN 438.A N SER 434.A O no hydrogen 2.793 N/A ILE 439.A N VAL 435.A O no hydrogen 3.092 N/A GLU 440.A N TRP 436.A O no hydrogen 2.716 N/A LYS 441.A N ARG 437.A O no hydrogen 2.863 N/A LYS 441.A NZ GLU 456.A OE2 no hydrogen 3.520 N/A ALA 442.A N ASN 438.A O no hydrogen 2.989 N/A ALA 442.A N ILE 439.A O no hydrogen 3.112 N/A TYR 443.A N ILE 439.A O no hydrogen 3.002 N/A TYR 443.A OH GLU 417.A OE1 no hydrogen 3.371 N/A TYR 443.A OH GLU 417.A OE2 no hydrogen 2.615 N/A LEU 444.A N GLU 440.A O no hydrogen 2.818 N/A ARG 447.A N LEU 444.A O no hydrogen 3.025 N/A TYR 449.A OH GLU 440.A OE2 no hydrogen 2.678 N/A ALA 450.A N ASP 448.A OD1 no hydrogen 3.013 N/A HIS 452.A N TYR 449.A O no hydrogen 2.945 N/A TYR 454.A OH GLY 459.A O no hydrogen 3.331 N/A TYR 454.A OH GLN 462.A OE1 no hydrogen 2.715 N/A LEU 455.A N HIS 452.A ND1 no hydrogen 3.276 N/A GLU 456.A N HIS 452.A O no hydrogen 2.814 N/A ARG 457.A N ASP 453.A O no hydrogen 2.929 N/A ARG 457.A NE ASP 453.A OD1 no hydrogen 3.149 N/A ARG 457.A NE ASP 453.A OD2 no hydrogen 3.214 N/A ARG 457.A NH1 GLU 185.A OE1 no hydrogen 3.026 N/A ARG 457.A NH2 GLU 185.A OE2 no hydrogen 3.216 N/A ARG 457.A NH2 ASP 453.A OD2 no hydrogen 3.407 N/A GLY 458.A N LEU 455.A O no hydrogen 2.848 N/A GLY 459.A N TYR 454.A O no hydrogen 3.168 N/A GLN 462.A N GLY 459.A O no hydrogen 3.140 N/A GLN 462.A NE2 ASP 189.A OD1 no hydrogen 2.667 N/A ARG 463.A N PHE 460.A O no hydrogen 3.205 N/A GLN 464.A N TRP 461.A O no hydrogen 2.896 N/A ILE 467.A N GLN 464.A O no hydrogen 3.128 N/A TYR 468.A N GLY 465.A O no hydrogen 2.878 N/A TYR 468.A OH LEU 188.A O no hydrogen 2.802 N/A THR 469.A N GLY 465.A O no hydrogen 2.747 N/A THR 469.A OG1 GLY 465.A O no hydrogen 2.882 N/A THR 469.A OG1 ASP 470.A OD2 no hydrogen 3.038 N/A ASP 470.A N HIS 466.A O no hydrogen 2.812 N/A TYR 473.A N ASP 470.A O no hydrogen 3.120 N/A TYR 473.A OH GLU 375.A OE2 no hydrogen 2.821 N/A TYR 477.A N TYR 474.A O no hydrogen 2.913 N/A TYR 477.A OH GLU 375.A OE2 no hydrogen 3.096 N/A THR 478.A OG1 ILE 475.A O no hydrogen 2.574 N/A LEU 479.A N ILE 475.A O no hydrogen 2.645 N/A ALA 480.A N ASP 476.A O no hydrogen 2.949 N/A GLN 481.A N TYR 477.A O no hydrogen 2.983 N/A GLN 481.A NE2 GLN 481.A O no hydrogen 3.311 N/A CYS 483.A N ALA 480.A O no hydrogen 2.688 N/A CYS 483.A SG LEU 479.A O no hydrogen 3.681 N/A ALA 484.A N ALA 480.A O no hydrogen 2.888 N/A PHE 485.A N GLN 481.A O no hydrogen 2.874 N/A GLN 486.A NE2 VAL 482.A O no hydrogen 3.183 N/A GLN 486.A NE2 GLN 524.A O no hydrogen 2.981 N/A PHE 487.A N CYS 483.A O no hydrogen 3.021 N/A TRP 488.A N ALA 484.A O no hydrogen 2.853 N/A LYS 489.A N PHE 485.A O no hydrogen 3.137 N/A ARG 490.A N GLN 486.A O no hydrogen 3.021 N/A ARG 490.A NH1 ALA 521.A O no hydrogen 3.090 N/A ARG 490.A NH2 ALA 521.A O no hydrogen 2.594 N/A ALA 491.A N PHE 487.A O no hydrogen 2.873 N/A GLN 492.A N TRP 488.A O no hydrogen 3.193 N/A GLU 493.A N LYS 489.A O no hydrogen 3.252 N/A ASP 494.A N ARG 490.A O no hydrogen 2.678 N/A ARG 495.A NH2 PHE 382.A O no hydrogen 2.784 N/A SER 497.A N ASP 494.A OD2 no hydrogen 3.454 N/A ALA 498.A N ASP 494.A O no hydrogen 2.946 N/A TRP 499.A N ARG 495.A O no hydrogen 2.898 N/A TRP 499.A NE1 GLU 294.A OE2 no hydrogen 2.967 N/A ARG 500.A N ALA 496.A O no hydrogen 3.033 N/A ASP 501.A N SER 497.A O no hydrogen 3.155 N/A TYR 502.A N ALA 498.A O no hydrogen 2.959 N/A TYR 502.A OH HIS 377.A O no hydrogen 2.589 N/A VAL 503.A N TRP 499.A O no hydrogen 2.945 N/A ALA 504.A N ARG 500.A O no hydrogen 3.021 N/A LEU 505.A N ASP 501.A O no hydrogen 2.884 N/A CYS 506.A N TYR 502.A O no hydrogen 3.000 N/A CYS 506.A SG HIS 377.A ND1 no hydrogen 3.793 N/A CYS 506.A SG TYR 502.A O no hydrogen 3.348 N/A ARG 507.A N VAL 503.A O no hydrogen 3.048 N/A ARG 507.A NE GLU 357.A OE1 no hydrogen 2.657 N/A ARG 507.A NH2 GLU 357.A OE1 no hydrogen 3.061 N/A LEU 508.A N LEU 505.A O no hydrogen 3.177 N/A GLY 509.A N LEU 505.A O no hydrogen 3.223 N/A SER 511.A OG LEU 508.A O no hydrogen 3.266 N/A THR 515.A N ASP 223.A OD2 no hydrogen 2.763 N/A THR 515.A OG1 ASP 223.A OD1 no hydrogen 2.866 N/A THR 515.A OG1 ASP 223.A OD2 no hydrogen 2.871 N/A GLU 516.A N PRO 513.A O no hydrogen 2.991 N/A LEU 517.A N PRO 513.A O no hydrogen 2.960 N/A VAL 518.A N PHE 514.A O no hydrogen 2.933 N/A LYS 519.A N THR 515.A O no hydrogen 3.019 N/A SER 520.A N GLU 516.A O no hydrogen 2.789 N/A SER 520.A OG LEU 517.A O no hydrogen 2.806 N/A ALA 521.A N LEU 517.A O no hydrogen 3.237 N/A ALA 521.A N VAL 518.A O no hydrogen 3.294 N/A ASN 522.A N LYS 519.A O no hydrogen 3.035 N/A LEU 523.A N VAL 518.A O no hydrogen 3.094 N/A GLN 524.A N GLN 486.A OE1 no hydrogen 2.717 N/A PHE 527.A N SER 525.A OG no hydrogen 3.139 N/A ALA 528.A N SER 525.A O no hydrogen 3.039 N/A ALA 531.A N ALA 528.A O no hydrogen 3.176 N/A VAL 532.A N GLN 234.A OE1 no hydrogen 3.202 N/A SER 534.A N GLY 530.A O no hydrogen 3.133 N/A SER 534.A OG GLY 530.A O no hydrogen 3.107 N/A SER 534.A OG ALA 531.A O no hydrogen 3.032 N/A VAL 535.A N ALA 531.A O no hydrogen 3.092 N/A VAL 536.A N VAL 532.A O no hydrogen 2.951 N/A GLY 537.A N ALA 533.A O no hydrogen 3.017 N/A HIS 538.A N VAL 535.A O no hydrogen 3.170 N/A GLU 540.A N VAL 536.A O no hydrogen 2.809 N/A ARG 541.A N GLY 537.A O no hydrogen 3.053 N/A TRP 542.A N HIS 538.A O no hydrogen 2.954 N/A LEU 543.A N ILE 539.A O no hydrogen 2.913 N/A ASP 544.A N GLU 540.A O no hydrogen 2.816 N/A SER 545.A N ARG 541.A O no hydrogen 3.191 N/A SER 545.A OG TRP 542.A O no hydrogen 2.473 N/A VAL 546.A N LEU 543.A O no hydrogen 3.397 N/A LYS 549.A N ASP 547.A OD1 no hydrogen 3.237 N/A ALA 550.A N ASP 547.A O no hydrogen 3.004 N/A LEU 551.A N ASP 548.A O no hydrogen 3.318 N/A