Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pwh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 7.A N PRO 4.A O no hydrogen 3.067 N/A SER 8.A N.A TRP 5.A O no hydrogen 3.304 N/A SER 8.A N.B TRP 5.A O no hydrogen 3.301 N/A SER 8.A OG.B TRP 5.A O no hydrogen 3.374 N/A VAL 10.A N ASP 46.A OD2 no hydrogen 2.931 N/A PHE 11.A N PRO 360.A O no hydrogen 2.962 N/A TYR 12.A N ALA 47.A O no hydrogen 2.939 N/A TYR 12.A OH GLU 367.A OE1 no hydrogen 3.410 N/A TYR 12.A OH GLU 367.A OE2 no hydrogen 2.625 N/A GLN 13.A N ILE 362.A O no hydrogen 2.759 N/A GLN 13.A NE2 ASN 51.A OD1 no hydrogen 2.987 N/A GLN 13.A NE2 HIS 325.A ND1 no hydrogen 3.047 N/A VAL 14.A N TRP 49.A O no hydrogen 2.857 N/A TYR 15.A N GLN 364.A OE1 no hydrogen 2.626 N/A SER 18.A N TYR 15.A O no hydrogen 2.810 N/A SER 18.A OG ARG 417.A O no hydrogen 2.540 N/A PHE 19.A N PRO 16.A O no hydrogen 3.304 N/A LYS 20.A NZ ASP 21.A O no hydrogen 2.781 N/A ASP 21.A N PHE 430.A O no hydrogen 3.069 N/A THR 22.A N ASP 29.A OD2 no hydrogen 2.926 N/A THR 22.A OG1 ASP 29.A OD1 no hydrogen 2.706 N/A THR 22.A OG1 ASP 29.A OD2 no hydrogen 3.314 N/A ASN 23.A N ASP 21.A OD1 no hydrogen 2.943 N/A GLY 26.A N ASP 21.A OD2 no hydrogen 2.795 N/A ILE 27.A N ASP 25.A OD1 no hydrogen 2.880 N/A GLY 28.A N ARG 17.A O no hydrogen 2.881 N/A ASP 29.A N LYS 20.A O no hydrogen 3.058 N/A PHE 30.A N TYR 75.A O no hydrogen 2.837 N/A GLY 32.A N ASP 29.A OD1 no hydrogen 2.903 N/A LEU 33.A N ASP 29.A O no hydrogen 3.190 N/A THR 34.A N PHE 30.A O no hydrogen 2.763 N/A THR 34.A OG1 PHE 30.A O no hydrogen 2.937 N/A GLU 35.A N LYS 31.A O no hydrogen 2.870 N/A LYS 36.A N LEU 33.A O no hydrogen 2.935 N/A LEU 37.A N THR 34.A O no hydrogen 3.412 N/A TYR 39.A OH GLU 367.A OE2 no hydrogen 2.828 N/A LEU 40.A N LYS 36.A O no hydrogen 3.208 N/A LYS 41.A N LEU 37.A O no hydrogen 2.770 N/A LYS 41.A NZ ARG 91.A O no hydrogen 3.344 N/A GLY 42.A N ASP 38.A O no hydrogen 2.829 N/A LEU 43.A N TYR 39.A O no hydrogen 3.093 N/A GLY 44.A N LEU 40.A O no hydrogen 3.104 N/A GLY 44.A N LYS 41.A O no hydrogen 2.861 N/A ILE 45.A N LEU 40.A O no hydrogen 3.134 N/A ASP 46.A N VAL 10.A O no hydrogen 3.035 N/A ILE 48.A N ARG 94.A O no hydrogen 2.930 N/A TRP 49.A N TYR 12.A O no hydrogen 2.956 N/A TRP 49.A NE1 ASP 98.A OD2 no hydrogen 3.149 N/A ILE 50.A N MET 96.A O no hydrogen 2.940 N/A ASN 51.A N VAL 14.A O no hydrogen 3.180 N/A ASN 51.A ND2 TYR 63.A OH no hydrogen 2.714 N/A TYR 54.A OH ASP 98.A O no hydrogen 2.544 N/A ALA 55.A N GLU 70.A O no hydrogen 3.003 N/A SER 56.A OG ASP 64.A O no hydrogen 2.742 N/A SER 56.A OG ASP 64.A OD1 no hydrogen 2.949 N/A ASN 58.A N SER 56.A OG no hydrogen 2.796 N/A THR 59.A N ASP 64.A OD2 no hydrogen 2.920 N/A ASP 60.A N ASP 64.A OD1 no hydrogen 3.045 N/A ASN 61.A ND2 ASN 58.A O no hydrogen 3.428 N/A TYR 63.A N ASP 60.A O no hydrogen 3.091 N/A TYR 63.A OH ASP 98.A OD2 no hydrogen 2.730 N/A TYR 63.A OH HIS 325.A NE2 no hydrogen 2.925 N/A SER 66.A N ALA 55.A O no hydrogen 2.838 N/A SER 66.A OG ALA 55.A O no hydrogen 3.237 N/A TYR 68.A OH VAL 100.A O no hydrogen 2.827 N/A ARG 69.A N ASP 67.A OD1 no hydrogen 2.877 N/A GLU 70.A N ASP 67.A O no hydrogen 3.484 N/A MET 72.A N HIS 53.A O no hydrogen 2.659 N/A TYR 75.A N MET 72.A O no hydrogen 2.978 N/A GLY 76.A N MET 72.A O no hydrogen 3.302 N/A GLY 76.A N LYS 73.A O no hydrogen 3.253 N/A THR 77.A N ASP 80.A OD2 no hydrogen 2.771 N/A THR 77.A OG1 ASP 80.A OD2 no hydrogen 3.315 N/A ASP 80.A N THR 77.A OG1 no hydrogen 3.382 N/A PHE 81.A N THR 77.A O no hydrogen 3.077 N/A ASP 82.A N MET 78.A O no hydrogen 2.780 N/A ARG 83.A N GLU 79.A O no hydrogen 2.811 N/A ARG 83.A NH1 ASP 80.A OD1 no hydrogen 2.635 N/A ARG 83.A NH2 ASP 80.A OD1 no hydrogen 2.949 N/A LEU 84.A N ASP 80.A O no hydrogen 2.951 N/A MET 85.A N PHE 81.A O no hydrogen 2.990 N/A ALA 86.A N ASP 82.A O no hydrogen 2.853 N/A GLU 87.A N ARG 83.A O no hydrogen 2.880 N/A LEU 88.A N LEU 84.A O no hydrogen 2.927 N/A LYS 89.A N MET 85.A O no hydrogen 3.042 N/A LYS 90.A N ALA 86.A O no hydrogen 2.958 N/A LYS 90.A NZ GLU 87.A OE2 no hydrogen 3.300 N/A ARG 91.A N LEU 88.A O no hydrogen 3.210 N/A ARG 91.A NE ASP 38.A OD1 no hydrogen 2.927 N/A ARG 91.A NH1 GLU 87.A O no hydrogen 2.834 N/A ARG 91.A NH1 GLU 87.A OE1 no hydrogen 2.959 N/A ARG 91.A NH2 ASP 38.A OD1 no hydrogen 3.302 N/A GLY 92.A N LYS 89.A O no hydrogen 2.852 N/A MET 93.A N LEU 88.A O no hydrogen 2.676 N/A ARG 94.A N ASP 46.A O no hydrogen 3.086 N/A MET 96.A N ILE 48.A O no hydrogen 2.722 N/A VAL 97.A N GLY 195.A O no hydrogen 3.008 N/A VAL 99.A N ARG 197.A O no hydrogen 2.653 N/A HIS 103.A ND1 ASN 102.A OD1 no hydrogen 3.216 N/A HIS 103.A NE2 TYR 63.A O no hydrogen 3.021 N/A SER 104.A N PRO 168.A O no hydrogen 3.185 N/A SER 104.A OG SER 105.A O no hydrogen 2.966 N/A SER 104.A OG TYR 126.A OH no hydrogen 2.780 N/A SER 105.A N ILE 65.A O no hydrogen 2.816 N/A ASP 106.A N GLN 166.A O no hydrogen 3.079 N/A GLN 107.A N SER 105.A OG no hydrogen 2.971 N/A GLN 107.A NE2 ASP 106.A OD1 no hydrogen 3.145 N/A HIS 108.A N SER 105.A O no hydrogen 3.195 N/A TRP 110.A N HIS 108.A ND1 no hydrogen 2.861 N/A LYS 112.A N HIS 108.A O no hydrogen 3.059 N/A SER 113.A N GLU 109.A O no hydrogen 3.133 N/A SER 113.A OG GLU 109.A O no hydrogen 2.979 N/A SER 114.A N TRP 110.A O no hydrogen 2.805 N/A SER 114.A OG TYR 122.A O no hydrogen 3.178 N/A SER 114.A OG ARG 123.A O no hydrogen 3.114 N/A ARG 115.A N PHE 111.A O no hydrogen 3.027 N/A ARG 115.A NE ASP 152.A OD2 no hydrogen 2.823 N/A ARG 115.A NH2 ASP 152.A OD1 no hydrogen 3.074 N/A ARG 115.A NH2 ASP 152.A OD2 no hydrogen 3.416 N/A ALA 116.A N SER 113.A O no hydrogen 2.982 N/A SER 117.A OG ASP 119.A OD1 no hydrogen 2.520 N/A ASN 120.A N SER 117.A O no hydrogen 3.294 N/A TYR 122.A N ASN 120.A OD1 no hydrogen 2.594 N/A ARG 123.A N ASN 120.A O no hydrogen 2.940 N/A ARG 123.A NH1 SER 114.A O no hydrogen 2.942 N/A ARG 123.A NH2 THR 155.A OG1 no hydrogen 3.055 N/A ARG 123.A NH2 GLN 157.A OE1 no hydrogen 2.814 N/A TYR 125.A N TYR 122.A O no hydrogen 2.970 N/A TYR 125.A OH GLU 180.A OE1 no hydrogen 2.526 N/A TYR 126.A N ARG 123.A O no hydrogen 3.493 N/A TYR 126.A OH SER 104.A OG no hydrogen 2.780 N/A TRP 128.A NE1 SER 114.A OG no hydrogen 2.794 N/A ARG 129.A N TYR 158.A O no hydrogen 2.850 N/A ARG 129.A NH1 TRP 128.A O no hydrogen 2.659 N/A LYS 132.A N HIS 135.A O no hydrogen 2.871 N/A LYS 132.A N GLU 136.A O no hydrogen 3.381 N/A HIS 135.A N LYS 132.A O no hydrogen 2.757 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.777 N/A ASN 138.A ND2 PHE 210.A O no hydrogen 2.935 N/A ASN 138.A ND2 PRO 211.A O no hydrogen 3.639 N/A ASN 139.A N ASP 212.A OD1 no hydrogen 2.784 N/A ASN 139.A ND2 LEU 213.A O no hydrogen 2.993 N/A TYR 140.A N ASN 138.A OD1 no hydrogen 2.901 N/A SER 142.A N GLY 146.A O no hydrogen 2.838 N/A SER 142.A OG TYR 162.A O no hydrogen 3.014 N/A SER 142.A OG PHE 163.A O no hydrogen 2.649 N/A PHE 143.A N TYR 162.A O no hydrogen 2.808 N/A PHE 144.A N SER 142.A OG no hydrogen 3.186 N/A GLY 145.A N SER 142.A O no hydrogen 3.215 N/A GLY 146.A N ASP 392.A OD1 no hydrogen 2.743 N/A GLY 146.A N ASP 392.A OD2 no hydrogen 3.360 N/A SER 147.A OG TRP 149.A O no hydrogen 3.386 N/A ALA 148.A N TYR 140.A O no hydrogen 2.907 N/A TRP 149.A N SER 147.A OG no hydrogen 2.873 N/A TRP 149.A NE1 ASN 138.A OD1 no hydrogen 2.604 N/A GLU 150.A N TYR 159.A O no hydrogen 3.046 N/A ASP 152.A N GLN 157.A O no hydrogen 2.886 N/A VAL 154.A N ASP 152.A OD1 no hydrogen 2.954 N/A THR 155.A N ASP 152.A O no hydrogen 3.103 N/A GLY 156.A N ASP 152.A O no hydrogen 2.688 N/A GLN 157.A NE2 ASP 130.A OD1 no hydrogen 2.838 N/A TYR 158.A N ARG 129.A O no hydrogen 2.760 N/A TYR 159.A N GLU 150.A O no hydrogen 2.824 N/A TYR 159.A OH ARG 165.A O no hydrogen 2.592 N/A LEU 160.A N PHE 127.A O no hydrogen 3.058 N/A HIS 161.A N ALA 148.A O no hydrogen 2.792 N/A HIS 161.A ND1 PHE 163.A O no hydrogen 2.609 N/A TYR 162.A N ASP 169.A OD1 no hydrogen 2.714 N/A GLY 164.A N GLN 167.A OE1 no hydrogen 2.854 N/A ARG 165.A NH1 GLN 391.A OE1 no hydrogen 3.499 N/A GLN 167.A N GLY 164.A O no hydrogen 2.826 N/A GLN 167.A NE2 ASP 60.A OD2 no hydrogen 2.896 N/A GLN 167.A NE2 TYR 63.A O no hydrogen 3.124 N/A ASP 169.A N LEU 160.A O no hydrogen 2.821 N/A LEU 170.A N ASN 102.A O no hydrogen 2.885 N/A ASN 171.A N TYR 125.A O no hydrogen 2.789 N/A ASN 171.A ND2 TYR 126.A O no hydrogen 3.230 N/A TRP 172.A NE1 ILE 101.A O no hydrogen 2.924 N/A ASP 173.A N ASN 171.A OD1 no hydrogen 2.907 N/A THR 174.A N ASN 171.A O no hydrogen 3.170 N/A THR 174.A OG1 ASP 124.A O no hydrogen 2.604 N/A LEU 177.A N THR 174.A O no hydrogen 2.933 N/A ARG 178.A N THR 174.A O no hydrogen 3.109 N/A ARG 178.A NE GLU 237.A OE1 no hydrogen 2.707 N/A ARG 178.A NH1 TRP 172.A O no hydrogen 2.730 N/A GLU 179.A N PRO 175.A O no hydrogen 2.897 N/A GLU 180.A N LYS 176.A O no hydrogen 3.054 N/A LEU 181.A N LEU 177.A O no hydrogen 2.926 N/A TYR 182.A N ARG 178.A O no hydrogen 2.902 N/A TYR 182.A OH GLU 237.A OE1 no hydrogen 2.510 N/A ALA 183.A N GLU 179.A O no hydrogen 3.018 N/A MET 184.A N GLU 180.A O no hydrogen 3.004 N/A LEU 185.A N LEU 181.A O no hydrogen 2.957 N/A ARG 186.A N TYR 182.A O no hydrogen 3.044 N/A ARG 186.A NH2 LYS 241.A O no hydrogen 3.126 N/A PHE 187.A N ALA 183.A O no hydrogen 3.148 N/A TRP 188.A NE1 TYR 68.A O no hydrogen 2.718 N/A LEU 189.A N LEU 185.A O no hydrogen 2.980 N/A ASP 190.A N ARG 186.A O no hydrogen 2.801 N/A LYS 191.A N TRP 188.A O no hydrogen 3.011 N/A LYS 191.A NZ ASP 82.A OD1 no hydrogen 2.859 N/A GLY 192.A N LEU 189.A O no hydrogen 2.865 N/A SER 194.A N LEU 95.A O no hydrogen 3.001 N/A MET 196.A N VAL 249.A O no hydrogen 2.924 N/A ARG 197.A N VAL 97.A O no hydrogen 2.880 N/A ARG 197.A NH1 ASP 98.A OD1 no hydrogen 2.969 N/A ARG 197.A NH1 ASP 199.A OD1 no hydrogen 3.032 N/A PHE 198.A N ALA 251.A O no hydrogen 2.724 N/A ASP 199.A N VAL 99.A O no hydrogen 2.878 N/A THR 200.A N GLU 253.A OE1 no hydrogen 2.590 N/A THR 200.A OG1 THR 203.A OG1 no hydrogen 2.717 N/A VAL 201.A N GLU 253.A O no hydrogen 3.184 N/A THR 203.A N THR 200.A O no hydrogen 3.339 N/A THR 203.A OG1 THR 200.A O no hydrogen 2.983 N/A THR 203.A OG1 THR 200.A OG1 no hydrogen 2.717 N/A LYS 206.A NZ ASP 169.A OD2 no hydrogen 2.819 N/A LYS 206.A NZ THR 203.A O no hydrogen 2.700 N/A PHE 210.A N THR 207.A O no hydrogen 3.035 N/A LEU 213.A N ASN 139.A OD1 no hydrogen 2.824 N/A THR 214.A N GLN 217.A OE1 no hydrogen 2.820 N/A GLN 217.A N THR 214.A OG1 no hydrogen 3.121 N/A MET 218.A N THR 214.A O no hydrogen 2.895 N/A LYS 219.A N GLU 216.A O no hydrogen 2.868 N/A ASN 220.A N GLU 216.A O no hydrogen 3.404 N/A GLU 223.A N ASN 220.A O no hydrogen 3.181 N/A TYR 225.A N PHE 221.A O no hydrogen 2.984 N/A TYR 225.A OH PRO 141.A O no hydrogen 2.684 N/A THR 226.A N GLU 223.A O no hydrogen 3.051 N/A THR 226.A OG1 GLU 223.A O no hydrogen 2.545 N/A THR 226.A OG1 GLN 227.A OE1 no hydrogen 2.935 N/A GLN 227.A N ALA 224.A O no hydrogen 3.097 N/A GLN 227.A NE2 GLN 261.A OE1 no hydrogen 2.813 N/A ASN 230.A N SER 205.A OG no hydrogen 2.957 N/A LEU 231.A N GLY 228.A O no hydrogen 3.397 N/A HIS 232.A ND1 GLU 272.A OE2 no hydrogen 2.523 N/A TYR 234.A N ASN 230.A O no hydrogen 3.023 N/A TYR 234.A OH ASP 173.A OD1 no hydrogen 2.526 N/A LEU 235.A N LEU 231.A O no hydrogen 3.086 N/A GLN 236.A N HIS 232.A O no hydrogen 2.841 N/A GLN 236.A NE2 GLU 272.A OE1 no hydrogen 3.164 N/A GLU 237.A N ARG 233.A O no hydrogen 3.095 N/A MET 238.A N TYR 234.A O no hydrogen 3.009 N/A HIS 239.A N LEU 235.A O no hydrogen 3.102 N/A HIS 239.A ND1 GLU 272.A O no hydrogen 2.960 N/A GLU 240.A N GLN 236.A O no hydrogen 2.929 N/A LYS 241.A N GLU 237.A O no hydrogen 2.791 N/A VAL 242.A N MET 238.A O no hydrogen 2.820 N/A ASP 244.A N HIS 239.A O no hydrogen 2.833 N/A HIS 245.A N VAL 242.A O no hydrogen 2.871 N/A TYR 246.A N PHE 243.A O no hydrogen 3.165 N/A TYR 246.A OH ASP 190.A OD1 no hydrogen 2.402 N/A VAL 249.A N SER 194.A O no hydrogen 2.940 N/A THR 250.A N ASP 274.A OD2 no hydrogen 2.872 N/A THR 250.A OG1 ASP 274.A OD2 no hydrogen 3.299 N/A ALA 251.A N MET 196.A O no hydrogen 2.863 N/A GLY 252.A N MET 275.A O no hydrogen 3.049 N/A GLU 253.A N PHE 198.A O no hydrogen 2.820 N/A ILE 254.A N PHE 277.A O no hydrogen 3.054 N/A GLN 261.A N PRO 258.A O no hydrogen 2.890 N/A GLN 261.A NE2 GLN 227.A OE1 no hydrogen 2.978 N/A VAL 262.A N LEU 259.A O no hydrogen 3.057 N/A LEU 264.A N GLN 261.A O no hydrogen 3.063 N/A PHE 265.A N VAL 262.A O no hydrogen 2.870 N/A ILE 266.A N VAL 262.A O no hydrogen 3.340 N/A ASP 267.A N PRO 263.A O no hydrogen 2.891 N/A SER 268.A N TYR 315.A O no hydrogen 2.911 N/A SER 268.A OG TYR 315.A O no hydrogen 3.352 N/A ARG 269.A N ASP 267.A OD1 no hydrogen 2.839 N/A ARG 269.A NE ASP 267.A OD1 no hydrogen 3.048 N/A ARG 269.A NE ASP 267.A OD2 no hydrogen 3.461 N/A ARG 269.A NH2 ASP 267.A OD2 no hydrogen 2.844 N/A ARG 270.A N ASP 267.A O no hydrogen 2.885 N/A ARG 270.A NE LEU 264.A O no hydrogen 2.740 N/A ARG 270.A NE GLU 272.A OE1 no hydrogen 3.118 N/A ARG 270.A NH2 GLU 272.A OE1 no hydrogen 2.683 N/A LYS 271.A N SER 268.A O no hydrogen 3.212 N/A LEU 273.A N PHE 265.A O no hydrogen 2.780 N/A ASP 274.A N THR 250.A O no hydrogen 3.067 N/A ASP 274.A N THR 250.A OG1 no hydrogen 2.925 N/A MET 275.A N THR 250.A O no hydrogen 2.838 N/A ALA 276.A N TRP 317.A O no hydrogen 3.079 N/A PHE 277.A N GLY 252.A O no hydrogen 2.924 N/A ARG 283.A N PHE 279.A O no hydrogen 2.982 N/A ARG 283.A NE ASN 327.A OD1 no hydrogen 2.614 N/A ARG 283.A NH2 ASP 326.A O no hydrogen 3.201 N/A ARG 283.A NH2 ASN 327.A OD1 no hydrogen 3.269 N/A TYR 284.A N LEU 281.A O no hydrogen 2.841 N/A ARG 286.A N ARG 283.A O no hydrogen 3.165 N/A ARG 286.A NH1 ARG 290.A O no hydrogen 2.912 N/A ALA 287.A N HIS 292.A O no hydrogen 2.836 N/A ARG 290.A N ALA 287.A O no hydrogen 2.892 N/A ARG 290.A NE GLU 385.A OE2 no hydrogen 3.464 N/A ARG 290.A NH2 PHE 143.A O no hydrogen 2.722 N/A ARG 290.A NH2 GLU 385.A OE2 no hydrogen 3.010 N/A TRP 291.A N ASP 289.A OD1 no hydrogen 2.960 N/A HIS 292.A N ASP 289.A OD1 no hydrogen 3.224 N/A HIS 292.A ND1 ASP 289.A OD1 no hydrogen 3.292 N/A HIS 292.A ND1 ASP 289.A OD2 no hydrogen 2.849 N/A ILE 294.A N ASP 285.A O no hydrogen 2.770 N/A ARG 296.A NE TYR 284.A O no hydrogen 2.880 N/A THR 297.A N ASP 300.A OD2 no hydrogen 2.797 N/A THR 297.A OG1 ASP 300.A OD2 no hydrogen 3.363 N/A ALA 299.A N THR 297.A OG1 no hydrogen 3.160 N/A PHE 301.A N THR 297.A O no hydrogen 3.022 N/A ARG 302.A N LEU 298.A O no hydrogen 2.744 N/A ARG 302.A NE ASP 482.A OD1 no hydrogen 3.346 N/A ARG 302.A NE ASP 482.A OD2 no hydrogen 3.118 N/A ARG 302.A NH1 ASN 487.A O no hydrogen 2.581 N/A ARG 302.A NH1 VAL 490.A O no hydrogen 2.945 N/A ARG 302.A NH2 ASP 482.A OD1 no hydrogen 2.871 N/A ARG 302.A NH2 ALA 492.A O no hydrogen 3.421 N/A GLN 303.A N ALA 299.A O no hydrogen 3.020 N/A GLN 303.A NE2 PRO 485.A O no hydrogen 2.787 N/A THR 304.A N ASP 300.A O no hydrogen 2.980 N/A THR 304.A OG1 ASP 300.A O no hydrogen 2.746 N/A ILE 305.A N PHE 301.A O no hydrogen 3.200 N/A ASP 306.A N ARG 302.A O no hydrogen 2.791 N/A LYS 307.A N GLN 303.A O no hydrogen 3.017 N/A VAL 308.A N THR 304.A O no hydrogen 2.982 N/A ASP 309.A N ILE 305.A O no hydrogen 2.878 N/A ALA 310.A N ASP 306.A O no hydrogen 2.988 N/A ILE 311.A N LYS 307.A O no hydrogen 3.011 N/A ALA 312.A N ASP 309.A O no hydrogen 2.947 N/A GLY 313.A N ALA 310.A O no hydrogen 3.181 N/A GLY 316.A N ALA 312.A O no hydrogen 2.826 N/A TRP 317.A NE1 THR 359.A OG1 no hydrogen 2.918 N/A ASN 318.A ND2 VAL 308.A O no hydrogen 3.027 N/A THR 319.A N ALA 276.A O no hydrogen 3.037 N/A THR 319.A OG1 ALA 276.A O no hydrogen 2.785 N/A PHE 320.A N THR 359.A O no hydrogen 2.817 N/A ASP 326.A N ASN 324.A OD1 no hydrogen 2.686 N/A ASN 327.A N ASN 324.A O no hydrogen 3.503 N/A ASN 327.A ND2 ASN 324.A OD1 no hydrogen 2.948 N/A ARG 329.A N ASN 372.A OD1 no hydrogen 2.868 N/A ARG 329.A NH1 GLN 364.A O no hydrogen 2.902 N/A ARG 329.A NH1 ASP 366.A OD1 no hydrogen 2.927 N/A ARG 329.A NH2 GLN 364.A O no hydrogen 3.030 N/A SER 332.A OG ASP 337.A OD2 no hydrogen 2.876 N/A HIS 333.A N ARG 329.A O no hydrogen 2.746 N/A HIS 333.A NE2 ASP 285.A OD1 no hydrogen 2.656 N/A HIS 333.A NE2 ASP 285.A OD2 no hydrogen 2.835 N/A PHE 334.A N ALA 330.A O no hydrogen 2.695 N/A ASP 336.A N SER 345.A OG no hydrogen 3.061 N/A ARG 338.A N ASP 336.A OD1 no hydrogen 3.104 N/A ARG 338.A NE ASP 336.A OD1 no hydrogen 2.973 N/A ARG 338.A NE ASP 336.A OD2 no hydrogen 3.304 N/A ARG 338.A NH2 ASP 336.A OD2 no hydrogen 2.710 N/A GLN 340.A N GLN 340.A OE1 no hydrogen 2.564 N/A TRP 341.A N ARG 338.A O no hydrogen 2.914 N/A ARG 342.A N ARG 338.A O no hydrogen 2.737 N/A ARG 342.A NH1 GLY 369.A O no hydrogen 3.429 N/A SER 345.A N TRP 341.A O no hydrogen 2.891 N/A SER 345.A OG ASP 336.A O no hydrogen 3.127 N/A SER 345.A OG TRP 341.A O no hydrogen 3.029 N/A SER 345.A OG ARG 342.A O no hydrogen 3.374 N/A ALA 346.A N ARG 342.A O no hydrogen 2.917 N/A LYS 347.A N GLU 343.A O no hydrogen 3.165 N/A LYS 347.A NZ LYS 456.A O no hydrogen 2.658 N/A ALA 348.A N ALA 344.A O no hydrogen 3.132 N/A LEU 349.A N SER 345.A O no hydrogen 2.998 N/A ALA 350.A N ALA 346.A O no hydrogen 3.066 N/A THR 351.A N LYS 347.A O no hydrogen 2.990 N/A THR 351.A OG1 LYS 347.A O no hydrogen 3.291 N/A THR 351.A OG1 SER 550.A OG no hydrogen 2.695 N/A VAL 352.A N ALA 348.A O no hydrogen 3.215 N/A THR 353.A N LEU 349.A O no hydrogen 2.828 N/A THR 353.A OG1 LEU 349.A O no hydrogen 2.844 N/A LEU 354.A N ALA 350.A O no hydrogen 2.875 N/A THR 355.A N VAL 352.A O no hydrogen 3.075 N/A THR 355.A OG1 THR 351.A O no hydrogen 2.634 N/A THR 355.A OG1 VAL 352.A O no hydrogen 3.289 N/A THR 355.A OG1 TYR 493.A OH no hydrogen 2.391 N/A GLN 356.A NE2 TYR 491.A OH no hydrogen 3.276 N/A GLN 356.A NE2 TYR 493.A OH no hydrogen 3.319 N/A ARG 357.A NH1 ASP 309.A OD1 no hydrogen 3.100 N/A ARG 357.A NH2 GLY 313.A O no hydrogen 3.507 N/A THR 359.A N ASN 318.A O no hydrogen 2.852 N/A THR 359.A OG1 TRP 6.A O no hydrogen 2.505 N/A PHE 361.A N PHE 320.A O no hydrogen 2.789 N/A ILE 362.A N PHE 11.A O no hydrogen 2.924 N/A GLN 364.A N GLN 13.A O no hydrogen 3.076 N/A GLN 364.A NE2 SER 18.A O no hydrogen 3.293 N/A GLY 365.A N GLU 367.A OE1 no hydrogen 2.841 N/A ASP 366.A N PHE 363.A O no hydrogen 2.960 N/A GLU 367.A N GLU 367.A OE1 no hydrogen 2.698 N/A LEU 368.A N GLY 365.A O no hydrogen 2.861 N/A GLY 369.A N GLY 365.A O no hydrogen 3.109 N/A GLY 369.A N ASP 366.A O no hydrogen 3.191 N/A MET 370.A N GLY 365.A O no hydrogen 3.204 N/A THR 371.A OG1 ASN 372.A O no hydrogen 2.995 N/A ASN 372.A N SER 332.A OG no hydrogen 2.902 N/A TYR 373.A N ASN 415.A OD1 no hydrogen 2.878 N/A PHE 375.A N TYR 373.A O no hydrogen 2.956 N/A LYS 376.A N ASP 380.A OD2 no hydrogen 2.810 N/A THR 377.A N ASP 380.A OD2 no hydrogen 2.986 N/A THR 377.A OG1 GLN 379.A OE1 no hydrogen 3.277 N/A GLN 379.A N THR 377.A OG1 no hydrogen 3.077 N/A ASP 380.A N THR 377.A O no hydrogen 3.063 N/A PHE 381.A N LEU 378.A O no hydrogen 3.321 N/A ASP 382.A N ASP 414.A OD2 no hydrogen 2.702 N/A ASP 383.A N ASP 414.A OD2 no hydrogen 2.951 N/A GLU 385.A N ASP 383.A OD1 no hydrogen 2.845 N/A VAL 386.A N ASP 383.A O no hydrogen 2.977 N/A LYS 387.A NZ ASP 382.A O no hydrogen 3.368 N/A GLY 388.A N ILE 384.A O no hydrogen 3.049 N/A PHE 389.A N GLU 385.A O no hydrogen 3.033 N/A PHE 390.A N VAL 386.A O no hydrogen 3.015 N/A GLN 391.A N LYS 387.A O no hydrogen 2.965 N/A ASP 392.A N GLY 388.A O no hydrogen 2.857 N/A TYR 393.A N PHE 389.A O no hydrogen 2.687 N/A VAL 394.A N PHE 390.A O no hydrogen 2.864 N/A GLU 395.A N PHE 390.A O no hydrogen 2.893 N/A THR 396.A OG1 ASP 392.A O no hydrogen 2.584 N/A GLY 397.A N VAL 394.A O no hydrogen 2.900 N/A ALA 399.A N TYR 393.A O no hydrogen 2.815 N/A THR 400.A N GLU 403.A OE1 no hydrogen 2.893 N/A GLU 403.A N THR 400.A OG1 no hydrogen 2.991 N/A LEU 404.A N THR 400.A O no hydrogen 3.077 N/A LEU 405.A N ALA 401.A O no hydrogen 3.011 N/A THR 406.A N GLU 402.A O no hydrogen 2.911 N/A THR 406.A OG1 GLU 402.A O no hydrogen 3.040 N/A ASN 407.A N GLU 403.A O no hydrogen 3.208 N/A ASN 407.A ND2 GLU 403.A O no hydrogen 2.760 N/A VAL 408.A N LEU 404.A O no hydrogen 2.725 N/A ALA 409.A N LEU 405.A O no hydrogen 2.991 N/A LEU 410.A N ASN 407.A O no hydrogen 3.053 N/A THR 411.A N VAL 408.A O no hydrogen 3.260 N/A SER 412.A N VAL 408.A O no hydrogen 2.728 N/A ARG 413.A NE ASP 383.A OD1 no hydrogen 3.490 N/A ARG 413.A NE ASP 383.A OD2 no hydrogen 2.824 N/A ARG 413.A NH1 ASP 326.A OD1 no hydrogen 3.164 N/A ARG 413.A NH2 ASP 60.A OD1 no hydrogen 3.124 N/A ARG 413.A NH2 ASP 383.A OD1 no hydrogen 2.950 N/A ASP 414.A N SER 412.A OG no hydrogen 3.194 N/A ASN 415.A N SER 412.A O no hydrogen 3.222 N/A ASN 415.A ND2 ALA 409.A O no hydrogen 3.034 N/A ASN 415.A ND2 SER 412.A O no hydrogen 3.092 N/A ALA 416.A N ARG 413.A O no hydrogen 3.075 N/A ARG 417.A N ASP 414.A O no hydrogen 3.078 N/A ARG 417.A NE HIS 325.A O no hydrogen 2.920 N/A ARG 417.A NH2 HIS 325.A O no hydrogen 3.230 N/A ARG 417.A NH2 ASP 326.A OD1 no hydrogen 3.149 N/A PHE 420.A N SER 18.A O no hydrogen 2.936 N/A GLN 421.A NE2 ASN 442.A OD1 no hydrogen 3.382 N/A GLN 421.A NE2 ILE 446.A O no hydrogen 2.627 N/A TRP 422.A N ALA 428.A O no hydrogen 2.875 N/A TRP 422.A NE1 PHE 19.A O no hydrogen 2.835 N/A ASP 423.A N ALA 428.A O no hydrogen 3.085 N/A SER 425.A N ASP 423.A OD1 no hydrogen 2.712 N/A SER 425.A OG ASP 423.A OD1 no hydrogen 2.572 N/A GLY 429.A N ALA 426.A O no hydrogen 3.145 N/A PHE 430.A N ASN 427.A O no hydrogen 2.921 N/A THR 431.A OG1 ASP 21.A OD2 no hydrogen 2.747 N/A GLY 433.A N THR 431.A OG1 no hydrogen 2.917 N/A TRP 436.A N GLY 26.A O no hydrogen 2.923 N/A TRP 436.A NE1 SER 18.A OG no hydrogen 3.012 N/A LYS 438.A NZ ASP 380.A OD1 no hydrogen 2.990 N/A ASN 442.A N ASN 440.A OD1 no hydrogen 2.939 N/A ASN 442.A ND2 THR 371.A OG1 no hydrogen 3.069 N/A TYR 443.A N ASN 440.A O no hydrogen 3.018 N/A THR 444.A OG1 GLU 445.A OE1 no hydrogen 2.733 N/A THR 444.A OG1 GLU 445.A OE2 no hydrogen 2.765 N/A GLU 445.A N ASN 442.A O no hydrogen 3.142 N/A ILE 446.A N ASN 442.A O no hydrogen 2.847 N/A ASN 447.A ND2 TYR 443.A O no hydrogen 3.031 N/A ALA 448.A N GLN 421.A O no hydrogen 2.814 N/A ALA 449.A N TRP 422.A O no hydrogen 2.733 N/A ARG 450.A N ASN 447.A OD1 no hydrogen 2.807 N/A ARG 450.A NE GLU 445.A O no hydrogen 3.189 N/A GLU 451.A N ASN 447.A O no hydrogen 3.234 N/A ILE 452.A N ALA 448.A O no hydrogen 2.805 N/A ASP 454.A N GLU 451.A O no hydrogen 3.186 N/A LYS 456.A N ASP 454.A OD1 no hydrogen 2.861 N/A SER 457.A N ASP 454.A O no hydrogen 2.968 N/A SER 457.A OG GLU 451.A O no hydrogen 2.661 N/A SER 457.A OG ASP 454.A O no hydrogen 2.874 N/A SER 457.A OG SER 460.A OG no hydrogen 3.066 N/A TYR 459.A N GLU 451.A OE1 no hydrogen 3.090 N/A SER 460.A N SER 457.A OG no hydrogen 3.082 N/A SER 460.A OG ASP 454.A O no hydrogen 2.719 N/A SER 460.A OG SER 457.A OG no hydrogen 3.066 N/A PHE 461.A N SER 457.A O no hydrogen 3.170 N/A TYR 462.A N VAL 458.A O no hydrogen 2.995 N/A ARG 463.A N TYR 459.A O no hydrogen 2.888 N/A ASN 464.A N SER 460.A O no hydrogen 2.916 N/A LEU 465.A N PHE 461.A O no hydrogen 2.824 N/A ILE 466.A N TYR 462.A O no hydrogen 2.792 N/A SER 467.A N ARG 463.A O no hydrogen 3.061 N/A SER 467.A OG ARG 463.A O no hydrogen 3.239 N/A ILE 468.A N ASN 464.A O no hydrogen 3.000 N/A ARG 469.A N LEU 465.A O no hydrogen 2.909 N/A ARG 469.A NE LEU 354.A O no hydrogen 2.989 N/A ARG 469.A NH2 GLN 356.A O no hydrogen 3.335 N/A HIS 470.A N ILE 466.A O no hydrogen 2.984 N/A HIS 470.A NE2 ASP 46.A OD2 no hydrogen 2.670 N/A GLU 471.A N SER 467.A O no hydrogen 2.979 N/A THR 472.A N ARG 469.A O no hydrogen 3.178 N/A THR 472.A OG1 ILE 468.A O no hydrogen 2.724 N/A LEU 475.A N THR 472.A O no hydrogen 2.869 N/A SER 476.A N PRO 473.A O no hydrogen 2.953 N/A SER 476.A OG PRO 473.A O no hydrogen 3.025 N/A THR 477.A N PRO 473.A O no hydrogen 3.111 N/A THR 477.A OG1 PRO 473.A O no hydrogen 3.520 N/A THR 477.A OG1 GLN 497.A OE1 no hydrogen 2.652 N/A SER 479.A N SER 496.A O no hydrogen 2.773 N/A SER 479.A OG SER 496.A O no hydrogen 3.397 N/A TYR 480.A OH TYR 491.A OH no hydrogen 2.593 N/A ARG 481.A N THR 494.A O no hydrogen 3.206 N/A ILE 483.A N ALA 492.A O no hydrogen 2.941 N/A ASP 484.A N ASP 482.A OD1 no hydrogen 2.975 N/A SER 486.A N ASP 484.A OD1 no hydrogen 3.138 N/A SER 486.A OG ASP 484.A OD1 no hydrogen 2.596 N/A ASN 487.A N ASP 484.A O no hydrogen 3.088 N/A ASP 489.A N ASN 487.A OD1 no hydrogen 2.676 N/A VAL 490.A N ASN 487.A OD1 no hydrogen 2.740 N/A TYR 491.A N VAL 506.A O no hydrogen 2.774 N/A TYR 491.A OH TYR 480.A OH no hydrogen 2.593 N/A TYR 493.A N VAL 504.A O no hydrogen 2.996 N/A TYR 493.A OH THR 355.A OG1 no hydrogen 2.391 N/A THR 494.A N ARG 481.A O no hydrogen 3.057 N/A ARG 495.A N TYR 502.A O no hydrogen 2.974 N/A ARG 495.A NE SER 479.A O no hydrogen 3.079 N/A ARG 495.A NH1 THR 355.A O no hydrogen 2.667 N/A ARG 495.A NH1 LEU 475.A O no hydrogen 2.716 N/A ARG 495.A NH2 SER 476.A O no hydrogen 2.974 N/A ARG 495.A NH2 GLY 478.A O no hydrogen 2.851 N/A SER 496.A N SER 479.A O no hydrogen 3.231 N/A SER 496.A OG THR 501.A OG1 no hydrogen 2.972 N/A GLN 497.A N GLU 500.A O no hydrogen 3.027 N/A GLU 500.A N GLN 497.A O no hydrogen 3.175 N/A THR 501.A OG1 SER 496.A OG no hydrogen 2.972 N/A TYR 502.A N ARG 495.A O no hydrogen 2.836 N/A LEU 503.A N TYR 553.A O no hydrogen 2.566 N/A VAL 504.A N TYR 493.A O no hydrogen 2.761 N/A VAL 505.A N GLY 551.A O no hydrogen 3.066 N/A VAL 506.A N TYR 491.A O no hydrogen 2.786 N/A ASN 507.A N GLN 549.A O no hydrogen 2.698 N/A ASN 507.A ND2 GLU 511.A O no hydrogen 2.920 N/A ASN 507.A ND2 GLN 546.A O no hydrogen 3.131 N/A PHE 508.A N ASP 489.A O no hydrogen 3.043 N/A LYS 509.A N ASN 507.A OD1 no hydrogen 3.007 N/A ARG 513.A N LEU 545.A O no hydrogen 2.983 N/A ARG 513.A NE ASP 489.A OD2 no hydrogen 2.557 N/A ARG 513.A NH1 PRO 512.A O no hydrogen 2.686 N/A ARG 513.A NH2 ASP 489.A OD2 no hydrogen 3.202 N/A SER 514.A OG GLU 544.A OE1 no hydrogen 2.934 N/A PHE 515.A N LEU 543.A O no hydrogen 2.834 N/A LEU 517.A N ALA 541.A O no hydrogen 3.015 N/A MET 521.A N PRO 518.A O no hydrogen 2.836 N/A HIS 522.A N LYS 556.A OXT no hydrogen 3.315 N/A ILE 523.A N ALA 540.A O no hydrogen 2.980 N/A ALA 524.A N LYS 554.A O no hydrogen 2.767 N/A GLU 525.A N LYS 554.A O no hydrogen 3.063 N/A LEU 527.A N ILE 552.A O no hydrogen 2.934 N/A SER 530.A N SER 550.A O no hydrogen 2.904 N/A SER 530.A OG SER 550.A OG no hydrogen 2.626 N/A SER 532.A OG GLU 529.A OE1 no hydrogen 2.641 N/A GLY 539.A N ILE 523.A O no hydrogen 2.722 N/A ALA 540.A N ALA 537.A O no hydrogen 2.991 N/A LEU 543.A N PHE 515.A O no hydrogen 2.641 N/A LEU 545.A N ARG 513.A O no hydrogen 2.655 N/A GLN 546.A N GLN 549.A OE1 no hydrogen 2.758 N/A TRP 548.A N LYS 509.A O no hydrogen 3.023 N/A GLN 549.A N GLN 546.A O no hydrogen 2.993 N/A SER 550.A N SER 530.A O no hydrogen 3.332 N/A SER 550.A OG THR 351.A OG1 no hydrogen 2.695 N/A SER 550.A OG SER 530.A OG no hydrogen 2.626 N/A GLY 551.A N VAL 505.A O no hydrogen 2.935 N/A ILE 552.A N ILE 528.A O no hydrogen 2.984 N/A TYR 553.A N LEU 503.A O no hydrogen 2.780 N/A TYR 553.A OH GLU 529.A OE2 no hydrogen 2.524 N/A LYS 554.A N GLU 525.A O no hydrogen 2.911 N/A VAL 555.A N THR 501.A O no hydrogen 3.077 N/A LYS 556.A N HIS 522.A O no hydrogen 2.858 N/A