Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5he3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 485.A OE2 no hydrogen 3.014 N/A ILE 10.A N GLU 7.A O no hydrogen 3.004 N/A ARG 11.A N PRO 8.A O no hydrogen 3.173 N/A ARG 11.A NE GLN 15.A OE1 no hydrogen 3.344 N/A ARG 11.A NH1 SER 139.A O no hydrogen 3.227 N/A ARG 11.A NH1 THR 143.A OG1 no hydrogen 2.637 N/A ARG 11.A NH2 ILE 137.A O no hydrogen 2.510 N/A SER 12.A N SER 9.A O no hydrogen 3.170 N/A SER 12.A OG HIS 515.A O no hydrogen 3.266 N/A VAL 13.A N ILE 10.A O no hydrogen 3.112 N/A MET 14.A N ILE 10.A O no hydrogen 3.085 N/A GLN 15.A N ARG 11.A O no hydrogen 2.995 N/A GLN 15.A NE2 GLU 19.A OE2 no hydrogen 3.114 N/A TYR 17.A N VAL 13.A O no hydrogen 2.687 N/A LEU 18.A N MET 14.A O no hydrogen 2.627 N/A GLU 19.A N GLN 15.A O no hydrogen 2.778 N/A ASP 20.A N LYS 16.A O no hydrogen 2.886 N/A ARG 21.A N LEU 18.A O no hydrogen 2.807 N/A GLY 22.A N GLU 19.A O no hydrogen 2.883 N/A GLU 23.A N LEU 18.A O no hydrogen 3.045 N/A THR 25.A OG1 GLU 27.A OE1 no hydrogen 3.097 N/A LYS 28.A N THR 25.A OG1 no hydrogen 3.164 N/A LYS 28.A NZ GLY 22.A O no hydrogen 3.448 N/A ILE 29.A N THR 25.A O no hydrogen 3.116 N/A PHE 30.A N PHE 26.A O no hydrogen 2.836 N/A SER 31.A N GLU 27.A O no hydrogen 3.297 N/A SER 31.A OG GLU 27.A O no hydrogen 2.598 N/A GLN 32.A N ILE 29.A O no hydrogen 3.024 N/A GLN 32.A NE2 LYS 28.A O no hydrogen 2.729 N/A LYS 33.A NZ GLN 472.A OE1 no hydrogen 3.375 N/A LEU 34.A N GLN 471.A OE1 no hydrogen 2.709 N/A TYR 36.A N GLN 32.A O no hydrogen 2.720 N/A LEU 37.A N LYS 33.A O no hydrogen 2.775 N/A LEU 38.A N LEU 34.A O no hydrogen 2.960 N/A LEU 38.A N GLY 35.A O no hydrogen 2.922 N/A PHE 39.A N GLY 35.A O no hydrogen 2.821 N/A ARG 40.A N TYR 36.A O no hydrogen 2.995 N/A ARG 40.A NE GLU 58.A OE1 no hydrogen 2.586 N/A ASP 41.A N LEU 37.A O no hydrogen 3.379 N/A PHE 42.A N LEU 38.A O no hydrogen 2.978 N/A CYS 43.A N PHE 39.A O no hydrogen 2.998 N/A CYS 43.A SG PHE 39.A O no hydrogen 3.203 N/A LEU 44.A N ARG 40.A O no hydrogen 2.718 N/A LYS 45.A N ASP 41.A O no hydrogen 3.326 N/A HIS 46.A N PHE 42.A O no hydrogen 2.861 N/A ALA 50.A N LEU 47.A O no hydrogen 3.308 N/A LYS 51.A N LEU 47.A O no hydrogen 3.200 N/A VAL 54.A N ALA 50.A O no hydrogen 3.074 N/A GLU 55.A N LYS 51.A O no hydrogen 2.830 N/A PHE 56.A N PRO 52.A O no hydrogen 2.808 N/A TYR 57.A N LEU 53.A O no hydrogen 2.764 N/A GLU 58.A N VAL 54.A O no hydrogen 2.645 N/A GLU 59.A N GLU 55.A O no hydrogen 3.053 N/A ILE 60.A N PHE 56.A O no hydrogen 3.004 N/A LYS 61.A N TYR 57.A O no hydrogen 2.673 N/A LYS 61.A NZ GLU 64.A OE1 no hydrogen 2.752 N/A LYS 61.A NZ GLU 64.A OE2 no hydrogen 3.302 N/A LYS 62.A N GLU 58.A O no hydrogen 2.700 N/A TYR 63.A N GLU 59.A O no hydrogen 2.804 N/A TYR 63.A OH PRO 113.A O no hydrogen 2.835 N/A GLU 64.A N ILE 60.A O no hydrogen 2.892 N/A LYS 65.A N LYS 61.A O no hydrogen 3.437 N/A LEU 66.A N TYR 63.A O no hydrogen 3.096 N/A THR 68.A N GLU 71.A OE1 no hydrogen 3.294 N/A THR 68.A OG1 GLU 71.A OE1 no hydrogen 2.362 N/A ARG 72.A N THR 68.A O no hydrogen 3.222 N/A ARG 72.A NE VAL 112.A O no hydrogen 2.733 N/A ARG 72.A NH1 LEU 66.A O no hydrogen 2.874 N/A ARG 72.A NH1 GLU 67.A O no hydrogen 3.047 N/A LEU 73.A N GLU 69.A O no hydrogen 2.825 N/A CYS 75.A N GLU 71.A O no hydrogen 3.055 N/A SER 76.A N ARG 72.A O no hydrogen 3.118 N/A SER 76.A OG ARG 72.A O no hydrogen 2.278 N/A SER 76.A OG LEU 73.A O no hydrogen 2.984 N/A GLU 78.A N VAL 74.A O no hydrogen 3.262 N/A ILE 79.A N CYS 75.A O no hydrogen 2.703 N/A PHE 80.A N SER 76.A O no hydrogen 2.811 N/A ASP 81.A N ARG 77.A O no hydrogen 2.731 N/A THR 82.A N GLU 78.A O no hydrogen 2.900 N/A THR 82.A N ILE 79.A O no hydrogen 3.284 N/A THR 82.A OG1 GLU 78.A O no hydrogen 3.150 N/A TYR 83.A N ILE 79.A O no hydrogen 2.884 N/A ILE 84.A N PHE 80.A O no hydrogen 3.136 N/A MET 85.A N PHE 80.A O no hydrogen 2.746 N/A LEU 88.A N ILE 84.A O no hydrogen 3.034 N/A LEU 89.A N MET 85.A O no hydrogen 3.145 N/A ALA 90.A N GLU 87.A O no hydrogen 3.226 N/A CYS 91.A N LEU 88.A O no hydrogen 3.158 N/A SER 92.A N GLU 87.A O no hydrogen 3.051 N/A SER 92.A OG ALA 90.A O no hydrogen 3.502 N/A HIS 93.A ND1 GLU 87.A OE1 no hydrogen 3.256 N/A HIS 93.A NE2 TYR 120.A OH no hydrogen 3.042 N/A PHE 95.A N HIS 93.A O no hydrogen 3.162 N/A SER 96.A N GLU 123.A OE1 no hydrogen 2.992 N/A SER 96.A OG GLU 123.A OE2 no hydrogen 3.277 N/A ALA 99.A N SER 96.A O no hydrogen 2.783 N/A ILE 100.A N SER 96.A O no hydrogen 3.474 N/A GLU 101.A N LYS 97.A O no hydrogen 2.918 N/A HIS 102.A N SER 98.A O no hydrogen 3.005 N/A VAL 103.A N ALA 99.A O no hydrogen 3.124 N/A GLN 104.A N ILE 100.A O no hydrogen 2.891 N/A GLY 105.A N GLU 101.A O no hydrogen 2.782 N/A LEU 107.A N VAL 103.A O no hydrogen 2.891 N/A VAL 108.A N GLN 104.A O no hydrogen 3.213 N/A LYS 109.A N GLY 105.A O no hydrogen 3.490 N/A GLN 111.A N HIS 106.A O no hydrogen 2.886 N/A LEU 116.A N PRO 113.A O no hydrogen 2.776 N/A GLN 118.A N ASP 115.A O no hydrogen 3.221 N/A TYR 120.A N PHE 117.A O no hydrogen 2.865 N/A TYR 120.A OH HIS 93.A NE2 no hydrogen 3.042 N/A ILE 121.A N PHE 117.A O no hydrogen 3.086 N/A GLU 122.A N GLN 118.A O no hydrogen 3.330 N/A ILE 124.A N TYR 120.A O no hydrogen 2.623 N/A CYS 125.A N ILE 121.A O no hydrogen 3.156 N/A CYS 125.A SG ILE 121.A O no hydrogen 3.552 N/A GLN 126.A N GLU 122.A O no hydrogen 3.139 N/A ASN 127.A N GLU 123.A O no hydrogen 3.169 N/A ASN 127.A ND2 PRO 94.A O no hydrogen 3.683 N/A ASN 127.A ND2 GLU 123.A O no hydrogen 3.631 N/A LEU 128.A N ILE 124.A O no hydrogen 3.019 N/A ARG 129.A N CYS 125.A O no hydrogen 2.837 N/A GLN 134.A N GLY 130.A O no hydrogen 2.767 N/A LYS 135.A N ASP 131.A O no hydrogen 2.945 N/A PHE 136.A N VAL 132.A O no hydrogen 3.137 N/A ILE 137.A N PHE 133.A O no hydrogen 2.741 N/A GLU 138.A N GLN 134.A O no hydrogen 3.109 N/A SER 139.A N PHE 136.A O no hydrogen 2.764 N/A SER 139.A OG PHE 136.A O no hydrogen 2.291 N/A LYS 141.A N SER 139.A OG no hydrogen 3.321 N/A THR 143.A N SER 139.A O no hydrogen 3.474 N/A ARG 144.A N ASP 140.A O no hydrogen 2.900 N/A ARG 144.A NE GLN 147.A OE1 no hydrogen 2.666 N/A ARG 144.A NH1 ASN 483.A O no hydrogen 3.298 N/A ARG 144.A NH1 ASN 483.A OD1 no hydrogen 2.966 N/A ARG 144.A NH1 ASP 487.A OD1 no hydrogen 3.033 N/A ARG 144.A NH2 ASP 487.A OD1 no hydrogen 2.748 N/A ARG 144.A NH2 GLU 490.A OE1 no hydrogen 3.031 N/A PHE 145.A N LYS 141.A O no hydrogen 3.089 N/A CYS 146.A N PHE 142.A O no hydrogen 2.941 N/A CYS 146.A SG PHE 142.A O no hydrogen 3.502 N/A GLN 147.A N THR 143.A O no hydrogen 2.871 N/A GLN 147.A NE2 PRO 6.A O no hydrogen 2.599 N/A GLN 147.A NE2 GLU 490.A OE2 no hydrogen 3.028 N/A TRP 148.A N ARG 144.A O no hydrogen 3.016 N/A TRP 148.A NE1 ASN 483.A OD1 no hydrogen 3.046 N/A LYS 149.A N PHE 145.A O no hydrogen 2.671 N/A LYS 149.A NZ GLU 152.A OE1 no hydrogen 3.083 N/A ASN 150.A N CYS 146.A O no hydrogen 2.730 N/A ASN 150.A ND2 SER 589.A OG no hydrogen 3.007 N/A VAL 151.A N GLN 147.A O no hydrogen 3.133 N/A GLU 152.A N TRP 148.A O no hydrogen 2.908 N/A LEU 153.A N LYS 149.A O no hydrogen 2.890 N/A ASN 154.A N VAL 151.A O no hydrogen 3.014 N/A ASN 154.A ND2 ASP 588.A O no hydrogen 3.647 N/A ILE 155.A N GLU 152.A O no hydrogen 3.288 N/A THR 158.A OG1 ASP 161.A OD2 no hydrogen 3.265 N/A ASP 161.A N THR 158.A O no hydrogen 2.866 N/A PHE 162.A N MET 159.A O no hydrogen 2.900 N/A SER 163.A N ARG 180.A O no hydrogen 2.805 N/A SER 163.A OG HIS 165.A NE2 no hydrogen 3.150 N/A HIS 165.A N GLY 178.A O no hydrogen 2.724 N/A ILE 168.A N VAL 176.A O no hydrogen 2.717 N/A GLY 171.A N GLY 174.A O no hydrogen 2.906 N/A VAL 176.A N GLY 169.A O no hydrogen 2.699 N/A TYR 177.A N MET 190.A O no hydrogen 2.696 N/A GLY 178.A N ARG 166.A O no hydrogen 2.848 N/A CYS 179.A N TYR 188.A O no hydrogen 2.738 N/A CYS 179.A SG TYR 188.A O no hydrogen 3.454 N/A ARG 180.A N SER 163.A O no hydrogen 3.158 N/A ARG 180.A NE GLY 185.A O no hydrogen 3.048 N/A LYS 181.A N LYS 186.A O no hydrogen 2.972 N/A LYS 181.A NZ ASP 183.A OD2 no hydrogen 3.021 N/A LYS 181.A NZ TYR 230.A OH no hydrogen 3.376 N/A THR 184.A N LYS 181.A O no hydrogen 3.114 N/A THR 184.A OG1 GLU 473.A OE2 no hydrogen 2.667 N/A GLY 185.A N LYS 181.A O no hydrogen 2.829 N/A LYS 186.A NZ GLU 476.A OE1 no hydrogen 3.036 N/A TYR 188.A N CYS 179.A O no hydrogen 2.656 N/A TYR 188.A OH SER 229.A OG no hydrogen 3.353 N/A TYR 188.A OH GLU 473.A OE1 no hydrogen 2.609 N/A ALA 189.A N LEU 242.A O no hydrogen 2.691 N/A MET 190.A N TYR 177.A O no hydrogen 2.658 N/A LYS 191.A N PHE 240.A O no hydrogen 3.012 N/A LYS 191.A NZ GLU 210.A OE1 no hydrogen 2.768 N/A LYS 191.A NZ GLU 210.A OE2 no hydrogen 2.752 N/A LYS 191.A NZ ASP 306.A OD1 no hydrogen 3.202 N/A CYS 192.A N GLU 175.A O no hydrogen 2.842 N/A LEU 193.A N LEU 238.A O no hydrogen 2.962 N/A ASP 194.A N PHE 173.A O no hydrogen 2.714 N/A LYS 195.A N ASP 236.A O no hydrogen 2.997 N/A LYS 195.A NZ THR 234.A O no hydrogen 2.684 N/A LYS 195.A NZ PRO 235.A O no hydrogen 3.478 N/A LYS 195.A NZ GLN 456.A OE1 no hydrogen 3.302 N/A ARG 197.A N ASP 194.A OD2 no hydrogen 2.706 N/A ILE 198.A N ASP 194.A O no hydrogen 2.899 N/A LYS 199.A N LYS 195.A O no hydrogen 2.885 N/A LYS 199.A NZ LYS 450.A O no hydrogen 2.510 N/A LYS 199.A NZ ASP 455.A OD2 no hydrogen 3.170 N/A MET 200.A N LYS 196.A O no hydrogen 2.807 N/A LYS 201.A N ARG 197.A O no hydrogen 3.408 N/A GLN 202.A N LYS 199.A O no hydrogen 3.110 N/A GLY 203.A N ILE 198.A O no hydrogen 3.171 N/A GLU 204.A N GLU 204.A OE2 no hydrogen 2.980 N/A ALA 207.A N GLY 203.A O no hydrogen 3.370 N/A LEU 208.A N GLU 204.A O no hydrogen 3.279 N/A ASN 209.A N THR 205.A O no hydrogen 2.496 N/A ASN 209.A ND2 GLY 308.A O no hydrogen 3.046 N/A ASN 209.A ND2 ALA 310.A O no hydrogen 2.926 N/A GLU 210.A N LEU 206.A O no hydrogen 2.930 N/A ARG 211.A N ALA 207.A O no hydrogen 3.151 N/A ARG 211.A NE PHE 462.A O no hydrogen 2.836 N/A ARG 211.A NH1 ARG 211.A O no hydrogen 3.194 N/A ARG 211.A NH2 ASN 461.A O no hydrogen 2.766 N/A ILE 212.A N LEU 208.A O no hydrogen 3.399 N/A MET 213.A N ASN 209.A O no hydrogen 2.824 N/A LEU 214.A N GLU 210.A O no hydrogen 2.827 N/A SER 215.A N ARG 211.A O no hydrogen 2.923 N/A LEU 216.A N ILE 212.A O no hydrogen 3.059 N/A LEU 216.A N MET 213.A O no hydrogen 2.627 N/A VAL 217.A N MET 213.A O no hydrogen 3.042 N/A VAL 217.A N LEU 214.A O no hydrogen 3.030 N/A SER 218.A N LEU 214.A O no hydrogen 2.807 N/A SER 218.A OG LEU 214.A O no hydrogen 2.729 N/A GLY 220.A N GLU 468.A OE1 no hydrogen 2.855 N/A VAL 226.A N ILE 304.A O no hydrogen 2.857 N/A CYS 227.A N ASP 243.A OD2 no hydrogen 2.684 N/A CYS 227.A SG VAL 217.A O no hydrogen 3.969 N/A CYS 227.A SG ILE 225.A O no hydrogen 3.441 N/A MET 228.A N SER 218.A OG no hydrogen 2.763 N/A SER 229.A N ILE 241.A O no hydrogen 2.719 N/A SER 229.A OG TYR 188.A OH no hydrogen 3.353 N/A TYR 230.A N ILE 241.A O no hydrogen 3.411 N/A TYR 230.A OH GLU 473.A OE1 no hydrogen 2.582 N/A ALA 231.A N LEU 464.A O no hydrogen 2.967 N/A PHE 232.A N SER 239.A O no hydrogen 2.928 N/A HIS 233.A NE2 TYR 459.A O no hydrogen 2.699 N/A THR 234.A N LYS 237.A O no hydrogen 2.965 N/A ASP 236.A N THR 234.A OG1 no hydrogen 3.201 N/A LYS 237.A N THR 234.A OG1 no hydrogen 2.831 N/A LEU 238.A N LEU 193.A O no hydrogen 2.835 N/A SER 239.A N PHE 232.A O no hydrogen 2.721 N/A PHE 240.A N LYS 191.A O no hydrogen 3.024 N/A ILE 241.A N TYR 230.A O no hydrogen 2.647 N/A LEU 242.A N ALA 189.A O no hydrogen 2.863 N/A ASP 243.A N CYS 227.A O no hydrogen 2.936 N/A GLY 247.A N LEU 296.A O no hydrogen 2.726 N/A LEU 250.A N PRO 291.A O no hydrogen 3.111 N/A LEU 250.A N ILE 294.A O no hydrogen 2.851 N/A TYR 252.A N ASP 249.A OD1 no hydrogen 2.623 N/A HIS 253.A N ASP 249.A O no hydrogen 3.147 N/A HIS 253.A NE2 GLY 247.A O no hydrogen 2.605 N/A LEU 254.A N LEU 250.A O no hydrogen 2.654 N/A SER 255.A N HIS 251.A O no hydrogen 3.479 N/A GLN 256.A N TYR 252.A O no hydrogen 3.036 N/A HIS 257.A N HIS 253.A O no hydrogen 2.818 N/A HIS 257.A ND1 GLY 258.A O no hydrogen 2.796 N/A GLY 258.A N LEU 254.A O no hydrogen 2.572 N/A PHE 260.A N LEU 355.A O no hydrogen 2.626 N/A ASP 264.A N SER 261.A OG no hydrogen 3.182 N/A MET 265.A N SER 261.A O no hydrogen 2.950 N/A ARG 266.A N GLU 262.A O no hydrogen 2.776 N/A ARG 266.A N ALA 263.A O no hydrogen 3.070 N/A ARG 266.A NH1 PHE 423.A O no hydrogen 2.751 N/A PHE 267.A N ALA 263.A O no hydrogen 3.424 N/A PHE 267.A N ASP 264.A O no hydrogen 3.181 N/A ALA 269.A N MET 265.A O no hydrogen 3.126 N/A ALA 270.A N ARG 266.A O no hydrogen 3.039 N/A GLU 271.A N PHE 267.A O no hydrogen 3.256 N/A ILE 272.A N TYR 268.A O no hydrogen 2.934 N/A ILE 273.A N ALA 269.A O no hydrogen 2.788 N/A ILE 273.A N ALA 270.A O no hydrogen 3.176 N/A LEU 274.A N ALA 270.A O no hydrogen 3.273 N/A GLY 275.A N GLU 271.A O no hydrogen 3.148 N/A LEU 276.A N ILE 272.A O no hydrogen 2.996 N/A GLU 277.A N ILE 273.A O no hydrogen 2.739 N/A HIS 278.A N LEU 274.A O no hydrogen 3.023 N/A MET 279.A N GLY 275.A O no hydrogen 3.084 N/A HIS 280.A N LEU 276.A O no hydrogen 2.587 N/A HIS 280.A NE2 ASP 344.A OD2 no hydrogen 2.594 N/A ASN 281.A N GLU 277.A O no hydrogen 2.939 N/A ARG 282.A N MET 279.A O no hydrogen 2.546 N/A ARG 282.A NH1 HIS 278.A O no hydrogen 3.375 N/A ARG 282.A NH2 THR 219.A OG1 no hydrogen 3.341 N/A PHE 283.A N HIS 280.A O no hydrogen 2.801 N/A VAL 284.A N MET 279.A O no hydrogen 3.437 N/A VAL 285.A N CYS 311.A O no hydrogen 2.917 N/A TYR 286.A N ASP 344.A OD2 no hydrogen 2.908 N/A TYR 286.A OH SER 305.A O no hydrogen 2.234 N/A TYR 286.A OH ASP 306.A O no hydrogen 2.813 N/A ARG 287.A N ASP 344.A OD1 no hydrogen 2.655 N/A ARG 287.A NE LEU 309.A O no hydrogen 2.748 N/A ARG 287.A NH2 LEU 309.A O no hydrogen 3.242 N/A LYS 290.A NZ THR 324.A OG1 no hydrogen 2.692 N/A ASN 293.A N LYS 290.A O no hydrogen 2.997 N/A ASN 293.A ND2 ASP 288.A O no hydrogen 2.652 N/A ILE 294.A N PRO 291.A O no hydrogen 3.079 N/A LEU 295.A N ARG 303.A O no hydrogen 3.017 N/A LEU 296.A N GLY 248.A O no hydrogen 2.741 N/A ASP 297.A N HIS 301.A O no hydrogen 2.732 N/A HIS 299.A N ASP 297.A OD1 no hydrogen 2.514 N/A GLY 300.A N ASP 297.A O no hydrogen 3.421 N/A GLY 300.A N ASP 297.A OD1 no hydrogen 3.019 N/A HIS 301.A N ASP 297.A OD1 no hydrogen 3.260 N/A HIS 301.A ND1 GLU 271.A OE2 no hydrogen 2.635 N/A VAL 302.A N GLU 271.A OE1 no hydrogen 2.944 N/A ARG 303.A N LEU 295.A O no hydrogen 2.962 N/A ARG 303.A NE ILE 225.A O no hydrogen 3.273 N/A ILE 304.A N PHE 224.A O no hydrogen 2.898 N/A SER 305.A N ASN 293.A O no hydrogen 2.865 N/A ALA 310.A N LEU 307.A O no hydrogen 2.942 N/A CYS 311.A SG ASP 312.A O no hydrogen 3.626 N/A PHE 313.A N PHE 283.A O no hydrogen 2.861 N/A SER 314.A N ASP 312.A OD1 no hydrogen 2.462 N/A THR 324.A OG1 ASP 288.A OD1 no hydrogen 2.806 N/A HIS 325.A ND1 ASP 374.A OD1 no hydrogen 2.927 N/A TYR 327.A N THR 324.A O no hydrogen 3.160 N/A GLU 331.A N GLU 331.A OE1 no hydrogen 2.401 N/A LEU 333.A N ALA 329.A O no hydrogen 3.252 N/A GLN 334.A N PRO 330.A O no hydrogen 2.720 N/A VAL 337.A N GLN 334.A O no hydrogen 3.133 N/A TYR 339.A OH ALA 320.A O no hydrogen 2.696 N/A SER 342.A OG GLU 331.A OE2 no hydrogen 2.963 N/A SER 342.A OG ASP 340.A O no hydrogen 3.085 N/A SER 342.A OG ASP 340.A OD1 no hydrogen 3.456 N/A ALA 343.A N ASP 340.A O no hydrogen 3.239 N/A ASP 344.A N SER 341.A O no hydrogen 3.015 N/A PHE 346.A N SER 342.A O no hydrogen 3.107 N/A SER 347.A N ALA 343.A O no hydrogen 2.721 N/A SER 347.A OG TYR 327.A O no hydrogen 2.389 N/A SER 347.A OG ALA 343.A O no hydrogen 3.003 N/A LEU 348.A N ASP 344.A O no hydrogen 2.484 N/A GLY 349.A N TRP 345.A O no hydrogen 3.098 N/A CYS 350.A N PHE 346.A O no hydrogen 3.045 N/A CYS 350.A SG PHE 346.A O no hydrogen 3.029 N/A MET 351.A N SER 347.A O no hydrogen 2.560 N/A LEU 352.A N LEU 348.A O no hydrogen 2.769 N/A PHE 353.A N GLY 349.A O no hydrogen 2.740 N/A LYS 354.A N CYS 350.A O no hydrogen 2.951 N/A LYS 354.A NZ HIS 251.A ND1 no hydrogen 3.021 N/A LYS 354.A NZ TYR 327.A OH no hydrogen 2.999 N/A LEU 355.A N MET 351.A O no hydrogen 3.029 N/A LEU 356.A N LEU 352.A O no hydrogen 3.092 N/A LEU 356.A N PHE 353.A O no hydrogen 3.024 N/A ARG 357.A N PHE 353.A O no hydrogen 2.787 N/A GLY 358.A N LYS 354.A O no hydrogen 2.749 N/A HIS 359.A ND1 SER 360.A O no hydrogen 2.819 N/A SER 360.A OG GLY 326.A O no hydrogen 2.814 N/A THR 367.A N GLN 364.A O no hydrogen 3.019 N/A THR 367.A OG1 GLU 372.A OE1 no hydrogen 2.754 N/A ASP 369.A N THR 367.A OG1 no hydrogen 3.083 N/A ILE 373.A N ASP 369.A O no hydrogen 3.251 N/A ILE 373.A N LYS 370.A O no hydrogen 3.206 N/A ASP 374.A N LYS 370.A O no hydrogen 3.089 N/A ARG 375.A N HIS 371.A O no hydrogen 3.528 N/A THR 377.A N ILE 373.A O no hydrogen 3.162 N/A THR 377.A OG1 ILE 373.A O no hydrogen 3.234 N/A LEU 378.A N ASP 374.A O no hydrogen 3.170 N/A THR 379.A N MET 376.A O no hydrogen 3.048 N/A PHE 388.A N PRO 385.A O no hydrogen 3.196 N/A SER 389.A N GLU 262.A OE2 no hydrogen 3.082 N/A SER 389.A OG GLU 262.A OE1 no hydrogen 2.982 N/A SER 389.A OG GLU 262.A OE2 no hydrogen 2.813 N/A GLU 391.A N GLU 391.A OE1 no hydrogen 2.897 N/A LEU 392.A N SER 389.A OG no hydrogen 3.290 N/A ARG 393.A N SER 389.A O no hydrogen 2.726 N/A ARG 393.A NH1 PHE 388.A O no hydrogen 2.552 N/A ARG 393.A NH2 LEU 384.A O no hydrogen 2.885 N/A ARG 393.A NH2 PRO 385.A O no hydrogen 2.624 N/A SER 394.A N PRO 390.A O no hydrogen 2.728 N/A LEU 395.A N GLU 391.A O no hydrogen 3.138 N/A LEU 396.A N LEU 392.A O no hydrogen 2.811 N/A GLU 397.A N ARG 393.A O no hydrogen 3.052 N/A GLY 398.A N SER 394.A O no hydrogen 2.819 N/A LEU 399.A N LEU 395.A O no hydrogen 2.879 N/A LEU 400.A N LEU 396.A O no hydrogen 2.605 N/A GLN 401.A N GLU 397.A O no hydrogen 2.970 N/A GLN 401.A NE2 ARG 406.A O no hydrogen 2.844 N/A ARG 406.A N ASP 403.A O no hydrogen 3.370 N/A ARG 407.A NE GLN 401.A O no hydrogen 2.625 N/A ARG 407.A NH2 GLN 401.A O no hydrogen 3.107 N/A LEU 408.A N GLY 398.A O no hydrogen 2.759 N/A LEU 411.A N GLU 417.A OE1 no hydrogen 2.897 N/A LEU 411.A N GLU 417.A OE2 no hydrogen 3.112 N/A ARG 413.A N GLU 417.A OE2 no hydrogen 2.755 N/A ARG 413.A NH2 GLU 420.A OE2 no hydrogen 2.650 N/A GLN 416.A N ARG 413.A O no hydrogen 3.198 N/A GLN 416.A NE2 GLU 420.A OE1 no hydrogen 3.258 N/A GLU 417.A N GLY 414.A O no hydrogen 2.794 N/A LYS 419.A N ALA 415.A O no hydrogen 3.072 N/A LYS 419.A NZ GLU 277.A OE1 no hydrogen 2.920 N/A LYS 419.A NZ GLU 277.A OE2 no hydrogen 3.130 N/A GLU 420.A N GLN 416.A O no hydrogen 3.269 N/A GLU 420.A N GLU 417.A O no hydrogen 3.137 N/A SER 421.A N VAL 418.A O no hydrogen 3.117 N/A PHE 423.A N SER 421.A OG no hydrogen 3.032 N/A PHE 424.A N SER 421.A O no hydrogen 2.898 N/A ARG 425.A N SER 421.A O no hydrogen 3.172 N/A ARG 425.A N PRO 422.A O no hydrogen 3.239 N/A LEU 427.A N PHE 424.A O no hydrogen 2.822 N/A ASP 428.A N TYR 437.A OH no hydrogen 3.039 N/A GLN 430.A N ASP 428.A OD1 no hydrogen 3.042 N/A VAL 432.A N ASP 428.A O no hydrogen 3.156 N/A PHE 433.A N TRP 429.A O no hydrogen 2.962 N/A LEU 434.A N GLN 430.A O no hydrogen 2.752 N/A GLN 435.A N VAL 432.A O no hydrogen 2.694 N/A LYS 436.A N MET 431.A O no hydrogen 2.775 N/A LYS 436.A NZ GLU 67.A OE2 no hydrogen 2.739 N/A LYS 447.A NZ ASP 194.A OD2 no hydrogen 2.948 N/A LEU 452.A N ASP 455.A OD2 no hydrogen 2.598 N/A ASP 455.A N LEU 452.A O no hydrogen 2.871 N/A GLN 456.A N LEU 452.A O no hydrogen 3.063 N/A GLN 456.A NE2 PRO 235.A O no hydrogen 3.529 N/A GLU 457.A N ASP 453.A O no hydrogen 2.999 N/A LEU 458.A N ASP 455.A O no hydrogen 2.845 N/A LEU 464.A N ALA 231.A O no hydrogen 2.741 N/A ILE 466.A N SER 229.A O no hydrogen 2.942 N/A SER 467.A OG GLU 152.A OE1 no hydrogen 3.282 N/A SER 467.A OG GLU 152.A OE2 no hydrogen 2.524 N/A ARG 469.A NE SER 218.A O no hydrogen 2.958 N/A ARG 469.A NH2 SER 218.A O no hydrogen 2.959 N/A TRP 470.A N ILE 466.A O no hydrogen 2.939 N/A GLN 471.A N SER 467.A O no hydrogen 2.757 N/A GLN 471.A NE2 GLN 32.A OE1 no hydrogen 3.076 N/A GLN 471.A NE2 SER 467.A OG no hydrogen 3.109 N/A GLN 472.A N GLU 468.A O no hydrogen 2.835 N/A GLN 472.A NE2 GLU 476.A OE2 no hydrogen 3.002 N/A GLU 473.A N ARG 469.A O no hydrogen 2.927 N/A VAL 474.A N TRP 470.A O no hydrogen 2.841 N/A ALA 475.A N GLN 471.A O no hydrogen 2.616 N/A GLU 476.A N GLN 472.A O no hydrogen 3.115 N/A THR 477.A N GLU 473.A O no hydrogen 3.243 N/A THR 477.A N VAL 474.A O no hydrogen 2.950 N/A THR 477.A OG1 GLU 473.A O no hydrogen 2.625 N/A THR 477.A OG1 VAL 474.A O no hydrogen 3.306 N/A PHE 479.A N VAL 474.A O no hydrogen 3.087 N/A ILE 482.A N VAL 478.A O no hydrogen 2.747 N/A ASN 483.A N PHE 479.A O no hydrogen 3.090 N/A ALA 484.A N ASP 480.A O no hydrogen 3.239 N/A GLU 485.A N THR 481.A O no hydrogen 2.994 N/A THR 486.A N ILE 482.A O no hydrogen 2.940 N/A THR 486.A OG1 ILE 482.A O no hydrogen 3.416 N/A ASP 487.A N ASN 483.A O no hydrogen 2.740 N/A ARG 488.A N ALA 484.A O no hydrogen 2.750 N/A LEU 489.A N GLU 485.A O no hydrogen 3.081 N/A GLU 490.A N THR 486.A O no hydrogen 2.898 N/A ALA 491.A N ASP 487.A O no hydrogen 3.069 N/A ARG 492.A N ARG 488.A O no hydrogen 3.042 N/A LYS 493.A N LEU 489.A O no hydrogen 3.198 N/A LYS 494.A N GLU 490.A O no hydrogen 2.892 N/A THR 495.A N ARG 492.A O no hydrogen 2.920 N/A THR 495.A OG1 ALA 491.A O no hydrogen 2.985 N/A THR 495.A OG1 ARG 492.A O no hydrogen 3.243 N/A LYS 496.A N ARG 492.A O no hydrogen 3.196 N/A ASN 497.A N LYS 493.A O no hydrogen 3.165 N/A LYS 498.A N LYS 494.A O no hydrogen 3.211 N/A GLN 499.A N THR 495.A O no hydrogen 2.850 N/A GLY 501.A N ASN 497.A O no hydrogen 2.736 N/A TYR 506.A OH GLU 542.A OE1 no hydrogen 2.470 N/A ALA 507.A N ASP 505.A OD1 no hydrogen 3.425 N/A LEU 508.A N ASP 505.A O no hydrogen 3.233 N/A LYS 510.A NZ TYR 506.A O no hydrogen 2.828 N/A CYS 512.A SG MET 514.A O no hydrogen 3.438 N/A CYS 512.A SG LEU 536.A O no hydrogen 3.426 N/A ILE 513.A N LEU 536.A O no hydrogen 2.744 N/A HIS 515.A N SER 12.A OG no hydrogen 2.895 N/A HIS 515.A ND1 TYR 533.A OH no hydrogen 2.568 N/A GLY 516.A N PHE 534.A O no hydrogen 3.222 N/A TYR 517.A OH GLU 7.A OE1 no hydrogen 3.036 N/A MET 518.A N ARG 532.A O no hydrogen 3.018 N/A SER 519.A N GLN 586.A O no hydrogen 2.729 N/A LYS 520.A N GLN 530.A O no hydrogen 3.130 N/A LYS 520.A NZ MET 521.A O no hydrogen 3.569 N/A GLY 522.A N GLN 528.A O no hydrogen 3.422 N/A THR 527.A N ASN 523.A O no hydrogen 3.002 N/A THR 527.A OG1 PRO 524.A O no hydrogen 3.540 N/A GLN 530.A N LYS 520.A O no hydrogen 2.993 N/A ARG 531.A NE ASP 588.A OD1 no hydrogen 3.205 N/A ARG 531.A NE ASP 588.A OD2 no hydrogen 3.445 N/A ARG 532.A N MET 518.A O no hydrogen 2.778 N/A ARG 532.A NH1 ARG 531.A O no hydrogen 3.139 N/A TYR 533.A N ARG 544.A O no hydrogen 2.837 N/A TYR 533.A OH HIS 515.A ND1 no hydrogen 2.568 N/A PHE 534.A N GLY 516.A O no hydrogen 3.157 N/A TYR 535.A N GLU 542.A O no hydrogen 2.731 N/A LEU 536.A N MET 514.A O no hydrogen 2.841 N/A PHE 537.A N ARG 540.A O no hydrogen 2.706 N/A ARG 540.A NE GLU 542.A OE2 no hydrogen 2.592 N/A ARG 540.A NH1 ASN 539.A OD1 no hydrogen 2.912 N/A ARG 540.A NH2 GLU 542.A OE2 no hydrogen 3.293 N/A LEU 541.A N LEU 554.A O no hydrogen 2.637 N/A GLU 542.A N TYR 535.A O no hydrogen 2.913 N/A ARG 544.A N TYR 533.A O no hydrogen 2.907 N/A ARG 544.A NE TYR 535.A OH no hydrogen 3.050 N/A ARG 544.A NH1 GLU 548.A O no hydrogen 3.111 N/A SER 552.A OG GLN 551.A O no hydrogen 3.491 N/A LEU 554.A N LEU 541.A O no hydrogen 2.816 N/A THR 555.A N GLU 558.A OE2 no hydrogen 2.727 N/A THR 555.A OG1 GLU 558.A OE2 no hydrogen 3.515 N/A MET 556.A N ASN 539.A O no hydrogen 2.894 N/A GLU 558.A N THR 555.A OG1 no hydrogen 3.141 N/A GLN 560.A N LYS 576.A O no hydrogen 2.725 N/A GLU 563.A N LEU 574.A O no hydrogen 3.158 N/A THR 565.A N CYS 572.A O no hydrogen 2.856 N/A THR 565.A OG1 GLN 566.A O no hydrogen 3.545 N/A ILE 567.A N ARG 570.A O no hydrogen 2.806 N/A ARG 570.A N ILE 567.A O no hydrogen 2.943 N/A ARG 570.A NH2 CYS 587.A O no hydrogen 3.207 N/A CYS 572.A N THR 565.A O no hydrogen 2.881 N/A CYS 572.A SG ARG 570.A O no hydrogen 3.816 N/A LEU 573.A N LEU 585.A O no hydrogen 2.716 N/A LEU 574.A N GLU 563.A O no hydrogen 2.586 N/A LEU 575.A N PHE 583.A O no hydrogen 2.755 N/A LYS 576.A N SER 561.A O no hydrogen 3.172 N/A LYS 576.A NZ GLU 563.A OE1 no hydrogen 3.286 N/A ILE 577.A N LYS 581.A O no hydrogen 2.749 N/A GLY 580.A N ILE 577.A O no hydrogen 3.226 N/A PHE 583.A N LEU 575.A O no hydrogen 2.844 N/A LEU 585.A N LEU 573.A O no hydrogen 2.851 N/A GLN 586.A N SER 519.A O no hydrogen 2.782 N/A SER 589.A OG GLU 592.A OE1 no hydrogen 2.529 N/A ASP 590.A N ASN 154.A OD1 no hydrogen 2.903 N/A LEU 593.A N SER 589.A O no hydrogen 3.022 N/A VAL 594.A N ASP 590.A O no hydrogen 2.949 N/A GLN 595.A N PRO 591.A O no hydrogen 2.891 N/A GLN 595.A NE2 ASP 20.A OD2 no hydrogen 2.851 N/A TRP 596.A N GLU 592.A O no hydrogen 2.995 N/A LYS 597.A N LEU 593.A O no hydrogen 3.119 N/A LYS 598.A N VAL 594.A O no hydrogen 3.075 N/A LYS 598.A NZ ASP 602.A OD2 no hydrogen 2.629 N/A GLU 599.A N GLN 595.A O no hydrogen 2.711 N/A LEU 600.A N TRP 596.A O no hydrogen 2.711 N/A ARG 601.A N LYS 597.A O no hydrogen 3.023 N/A ARG 601.A NE VAL 562.A O no hydrogen 2.754 N/A ARG 601.A NH2 VAL 562.A O no hydrogen 2.499 N/A ASP 602.A N LYS 598.A O no hydrogen 2.803 N/A ALA 603.A N GLU 599.A O no hydrogen 2.788 N/A TYR 604.A N LEU 600.A O no hydrogen 2.963 N/A ARG 605.A N ARG 601.A O no hydrogen 3.117 N/A ARG 605.A NH2 TYR 604.A OH no hydrogen 2.846 N/A GLU 606.A N ASP 602.A O no hydrogen 3.086 N/A ALA 607.A N ALA 603.A O no hydrogen 2.827 N/A GLN 608.A N TYR 604.A O no hydrogen 3.081 N/A GLN 608.A NE2 MET 556.A O no hydrogen 2.704 N/A GLN 608.A NE2 ILE 559.A O no hydrogen 2.604 N/A GLN 609.A N ARG 605.A O no hydrogen 2.935 N/A LEU 610.A N GLU 606.A O no hydrogen 2.930 N/A VAL 611.A N ALA 607.A O no hydrogen 2.772 N/A GLN 612.A N GLN 608.A O no hydrogen 3.297 N/A ARG 613.A N LEU 610.A O no hydrogen 3.068 N/A VAL 614.A N VAL 611.A O no hydrogen 3.031 N/A MET 617.A N VAL 614.A O no hydrogen 2.749 N/A LYS 618.A N VAL 614.A O no hydrogen 2.868 N/A LYS 620.A NZ PRO 615.A O no hydrogen 3.058 N/A