Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s3b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N SER 2.A O no hydrogen 2.462 N/A TYR 5.A OH LEU 401.A O no hydrogen 2.867 N/A GLU 6.A N SER 2.A O no hydrogen 2.940 N/A ALA 7.A N ARG 3.A O no hydrogen 3.010 N/A GLU 10.A N GLU 10.A OE1 no hydrogen 2.578 N/A LYS 11.A NZ ALA 495.A O no hydrogen 2.572 N/A LYS 12.A N PRO 9.A O no hydrogen 3.018 N/A ALA 13.A N PRO 9.A O no hydrogen 3.439 N/A THR 14.A N GLU 10.A O no hydrogen 3.063 N/A THR 14.A OG1 GLU 10.A O no hydrogen 2.606 N/A LEU 15.A N LYS 11.A O no hydrogen 3.046 N/A TYR 16.A N LYS 12.A O no hydrogen 2.999 N/A PHE 17.A N ALA 13.A O no hydrogen 3.082 N/A LEU 18.A N THR 14.A O no hydrogen 3.007 N/A VAL 19.A N LEU 15.A O no hydrogen 2.921 N/A LEU 20.A N TYR 16.A O no hydrogen 3.048 N/A GLY 21.A N PHE 17.A O no hydrogen 2.942 N/A PHE 22.A N LEU 18.A O no hydrogen 2.879 N/A LEU 23.A N VAL 19.A O no hydrogen 2.923 N/A ALA 24.A N LEU 20.A O no hydrogen 3.172 N/A LEU 25.A N GLY 21.A O no hydrogen 3.084 N/A ILE 26.A N PHE 22.A O no hydrogen 2.882 N/A VAL 27.A N LEU 23.A O no hydrogen 2.951 N/A GLY 28.A N ALA 24.A O no hydrogen 2.986 N/A SER 29.A N LEU 25.A O no hydrogen 2.977 N/A SER 29.A OG ASN 69.A OD1 no hydrogen 3.293 N/A LEU 30.A N ILE 26.A O no hydrogen 3.193 N/A PHE 31.A N GLY 28.A O no hydrogen 3.301 N/A GLY 32.A N SER 29.A O no hydrogen 2.959 N/A GLN 35.A N PHE 31.A O no hydrogen 3.059 N/A ALA 36.A N GLY 32.A O no hydrogen 2.919 N/A LEU 37.A N PRO 33.A O no hydrogen 2.827 N/A ASN 38.A N PHE 34.A O no hydrogen 2.862 N/A ASN 38.A ND2 ALA 444.A O no hydrogen 3.041 N/A TYR 39.A N GLN 35.A O no hydrogen 3.295 N/A TYR 39.A OH PRO 441.A O no hydrogen 2.702 N/A GLY 40.A N LEU 37.A O no hydrogen 2.534 N/A ASN 41.A N ASN 38.A O no hydrogen 3.249 N/A VAL 42.A N LEU 37.A O no hydrogen 3.065 N/A TYR 45.A N ASP 43.A OD2 no hydrogen 3.130 N/A LEU 48.A N ALA 44.A O no hydrogen 3.330 N/A LYS 49.A N TYR 45.A O no hydrogen 2.571 N/A LYS 49.A NZ PRO 53.A O no hydrogen 3.468 N/A ARG 50.A N PRO 46.A O no hydrogen 2.777 N/A LEU 51.A N LEU 47.A O no hydrogen 3.075 N/A LEU 52.A N LEU 48.A O no hydrogen 2.557 N/A VAL 55.A N LEU 52.A O no hydrogen 3.082 N/A GLN 56.A N GLN 60.A OE1 no hydrogen 2.690 N/A GLN 56.A NE2 PHE 54.A O no hydrogen 3.271 N/A GLN 60.A N SER 57.A O no hydrogen 3.186 N/A GLN 60.A N SER 57.A OG no hydrogen 3.384 N/A GLN 60.A NE2 LEU 117.A O no hydrogen 2.830 N/A GLN 60.A NE2 LEU 118.A O no hydrogen 3.142 N/A GLY 61.A N SER 57.A O no hydrogen 3.254 N/A LEU 62.A N TYR 58.A O no hydrogen 3.026 N/A THR 63.A N TYR 59.A O no hydrogen 3.068 N/A THR 63.A N GLN 60.A O no hydrogen 3.067 N/A THR 63.A OG1 TYR 59.A O no hydrogen 2.942 N/A LEU 64.A N GLN 60.A O no hydrogen 2.989 N/A HIS 65.A N GLY 61.A O no hydrogen 2.818 N/A HIS 65.A ND1 GLY 28.A O no hydrogen 2.940 N/A GLY 66.A N LEU 62.A O no hydrogen 3.154 N/A VAL 67.A N THR 63.A O no hydrogen 2.986 N/A LEU 68.A N LEU 64.A O no hydrogen 2.952 N/A ASN 69.A N HIS 65.A O no hydrogen 3.068 N/A ASN 69.A ND2 LEU 25.A O no hydrogen 3.205 N/A ALA 70.A N GLY 66.A O no hydrogen 2.822 N/A VAL 72.A N VAL 67.A O no hydrogen 2.943 N/A PHE 73.A N LEU 68.A O no hydrogen 2.940 N/A THR 74.A OG1 ALA 70.A O no hydrogen 2.417 N/A THR 74.A OG1 ILE 71.A O no hydrogen 3.407 N/A GLN 75.A N ILE 71.A O no hydrogen 3.270 N/A GLN 75.A NE2 GLN 79.A OE1 no hydrogen 2.995 N/A GLN 75.A NE2 PHE 145.A O no hydrogen 3.019 N/A LEU 76.A N VAL 72.A O no hydrogen 3.030 N/A PHE 77.A N PHE 73.A O no hydrogen 3.072 N/A ALA 78.A N THR 74.A O no hydrogen 3.088 N/A GLN 79.A N GLN 75.A O no hydrogen 2.882 N/A GLN 79.A NE2 SER 148.A OG no hydrogen 2.840 N/A GLN 79.A NE2 SER 152.A OG no hydrogen 3.010 N/A ALA 80.A N LEU 76.A O no hydrogen 2.967 N/A ILE 81.A N PHE 77.A O no hydrogen 2.943 N/A MET 82.A N ALA 78.A O no hydrogen 2.669 N/A TYR 84.A N ALA 80.A O no hydrogen 3.219 N/A TYR 84.A OH ASN 400.A OD1 no hydrogen 2.571 N/A LEU 85.A N ILE 81.A O no hydrogen 3.170 N/A ALA 87.A N VAL 83.A O no hydrogen 3.141 N/A ARG 88.A N TYR 84.A O no hydrogen 2.829 N/A ARG 88.A NH1 ASN 91.A OD1 no hydrogen 2.968 N/A GLU 89.A N LEU 85.A O no hydrogen 2.924 N/A LEU 90.A N PRO 86.A O no hydrogen 2.956 N/A ASN 91.A N ARG 88.A O no hydrogen 3.276 N/A MET 92.A N ALA 87.A O no hydrogen 3.095 N/A ARG 93.A NH1 GLU 6.A O no hydrogen 3.004 N/A ARG 93.A NH1 ALA 7.A O no hydrogen 2.696 N/A LEU 98.A N ASN 95.A OD1 no hydrogen 3.257 N/A MET 99.A N ASN 95.A O no hydrogen 2.943 N/A TRP 100.A N MET 96.A O no hydrogen 3.241 N/A LEU 101.A N GLY 97.A O no hydrogen 3.096 N/A SER 102.A N LEU 98.A O no hydrogen 2.917 N/A SER 102.A OG MET 99.A O no hydrogen 2.788 N/A TRP 103.A N MET 99.A O no hydrogen 3.187 N/A TRP 104.A N TRP 100.A O no hydrogen 3.223 N/A MET 105.A N LEU 101.A O no hydrogen 2.989 N/A ALA 106.A N SER 102.A O no hydrogen 3.179 N/A PHE 107.A N TRP 103.A O no hydrogen 3.039 N/A ILE 108.A N TRP 104.A O no hydrogen 2.662 N/A GLY 109.A N MET 105.A O no hydrogen 2.825 N/A LEU 110.A N ALA 106.A O no hydrogen 2.924 N/A VAL 111.A N PHE 107.A O no hydrogen 3.037 N/A VAL 112.A N ILE 108.A O no hydrogen 2.785 N/A ALA 113.A N GLY 109.A O no hydrogen 3.054 N/A ALA 114.A N LEU 110.A O no hydrogen 2.720 N/A LEU 115.A N VAL 111.A O no hydrogen 3.323 N/A LEU 117.A N ALA 113.A O no hydrogen 3.456 N/A LEU 118.A N ALA 114.A O no hydrogen 2.759 N/A ALA 119.A N LEU 115.A O no hydrogen 2.822 N/A ASN 120.A N LEU 117.A O no hydrogen 3.206 N/A GLU 121.A N PRO 116.A O no hydrogen 2.730 N/A THR 123.A OG1 ASN 120.A OD1 no hydrogen 2.771 N/A LEU 125.A N THR 63.A OG1 no hydrogen 2.810 N/A PHE 128.A N LEU 125.A O no hydrogen 3.070 N/A LEU 132.A N TYR 129.A O no hydrogen 3.243 N/A LYS 133.A N TRP 552.A O no hydrogen 2.973 N/A LYS 133.A NZ TRP 204.A O no hydrogen 3.094 N/A GLY 134.A N TYR 139.A OH no hydrogen 2.977 N/A HIS 135.A N GLU 121.A O no hydrogen 3.147 N/A ALA 137.A N HIS 135.A ND1 no hydrogen 2.856 N/A PHE 138.A N HIS 135.A O no hydrogen 3.218 N/A LEU 140.A N TRP 136.A O no hydrogen 2.913 N/A GLY 141.A N ALA 137.A O no hydrogen 3.095 N/A ALA 142.A N PHE 138.A O no hydrogen 2.992 N/A SER 143.A N TYR 139.A O no hydrogen 3.035 N/A SER 143.A OG TYR 139.A O no hydrogen 2.572 N/A VAL 144.A N LEU 140.A O no hydrogen 3.157 N/A PHE 145.A N GLY 141.A O no hydrogen 2.968 N/A VAL 146.A N ALA 142.A O no hydrogen 2.717 N/A LEU 147.A N SER 143.A O no hydrogen 2.792 N/A SER 148.A N VAL 144.A O no hydrogen 3.036 N/A SER 148.A OG SER 102.A O no hydrogen 2.762 N/A THR 149.A N VAL 146.A O no hydrogen 2.859 N/A THR 149.A OG1 VAL 146.A O no hydrogen 2.647 N/A TRP 150.A N LEU 147.A O no hydrogen 2.687 N/A TRP 150.A NE1 SER 190.A OG no hydrogen 2.837 N/A SER 152.A N SER 148.A O no hydrogen 3.249 N/A ILE 153.A N THR 149.A O no hydrogen 2.769 N/A TYR 154.A N TRP 150.A O no hydrogen 3.166 N/A ILE 155.A N VAL 151.A O no hydrogen 2.963 N/A VAL 156.A N SER 152.A O no hydrogen 3.193 N/A LEU 157.A N ILE 153.A O no hydrogen 2.974 N/A ASP 158.A N TYR 154.A O no hydrogen 2.834 N/A LEU 159.A N ILE 155.A O no hydrogen 3.075 N/A TRP 160.A N VAL 156.A O no hydrogen 2.897 N/A TRP 160.A NE1 THR 172.A OG1 no hydrogen 3.283 N/A ARG 161.A N LEU 157.A O no hydrogen 2.860 N/A ARG 162.A N ASP 158.A O no hydrogen 2.890 N/A ARG 162.A NH1 ARG 93.A O no hydrogen 2.798 N/A ARG 162.A NH2 ARG 93.A O no hydrogen 3.134 N/A ARG 162.A NH2 ASP 158.A OD1 no hydrogen 3.037 N/A TRP 163.A N LEU 159.A O no hydrogen 2.995 N/A LYS 164.A N TRP 160.A O no hydrogen 2.799 N/A LYS 164.A NZ LYS 170.A O no hydrogen 3.351 N/A LYS 164.A NZ THR 172.A OG1 no hydrogen 3.337 N/A LYS 164.A NZ ASP 518.A OD1 no hydrogen 3.139 N/A ALA 165.A N ARG 161.A O no hydrogen 2.921 N/A ALA 166.A N ARG 162.A O no hydrogen 3.202 N/A ASN 167.A N LYS 164.A O no hydrogen 3.209 N/A ASN 167.A ND2 TRP 163.A O no hydrogen 2.950 N/A THR 172.A N ASP 518.A OD1 no hydrogen 2.958 N/A THR 172.A OG1 ASP 518.A OD1 no hydrogen 3.077 N/A THR 172.A OG1 ASP 518.A OD2 no hydrogen 2.530 N/A VAL 175.A N GLU 89.A OE1 no hydrogen 3.087 N/A THR 176.A N GLU 89.A OE2 no hydrogen 3.163 N/A THR 176.A OG1 GLU 89.A OE2 no hydrogen 2.793 N/A TYR 177.A N PRO 173.A O no hydrogen 2.733 N/A TYR 177.A OH MET 517.A O no hydrogen 2.829 N/A MET 178.A N LEU 174.A O no hydrogen 2.890 N/A ALA 179.A N VAL 175.A O no hydrogen 2.885 N/A VAL 180.A N THR 176.A O no hydrogen 2.912 N/A VAL 181.A N TYR 177.A O no hydrogen 3.020 N/A PHE 182.A N MET 178.A O no hydrogen 2.770 N/A TRP 183.A N ALA 179.A O no hydrogen 2.931 N/A TRP 183.A NE1 MET 82.A O no hydrogen 2.629 N/A LEU 184.A N VAL 180.A O no hydrogen 2.988 N/A MET 185.A N VAL 181.A O no hydrogen 2.948 N/A TRP 186.A N PHE 182.A O no hydrogen 3.040 N/A TRP 186.A NE1 THR 149.A OG1 no hydrogen 2.750 N/A PHE 187.A N TRP 183.A O no hydrogen 3.055 N/A LEU 188.A N LEU 184.A O no hydrogen 3.151 N/A ALA 189.A N MET 185.A O no hydrogen 2.970 N/A SER 190.A N TRP 186.A O no hydrogen 2.827 N/A SER 190.A OG PHE 187.A O no hydrogen 3.228 N/A LEU 191.A N LEU 188.A O no hydrogen 3.426 N/A GLY 192.A N ALA 189.A O no hydrogen 3.358 N/A LEU 193.A N THR 224.A OG1 no hydrogen 2.645 N/A VAL 194.A N SER 190.A O no hydrogen 3.081 N/A LEU 195.A N LEU 191.A O no hydrogen 2.726 N/A GLU 196.A N GLY 192.A O no hydrogen 2.987 N/A ALA 197.A N LEU 193.A O no hydrogen 2.730 N/A VAL 198.A N VAL 194.A O no hydrogen 2.876 N/A LEU 199.A N LEU 195.A O no hydrogen 2.818 N/A PHE 200.A N GLU 196.A O no hydrogen 2.919 N/A LEU 201.A N GLU 196.A O no hydrogen 3.016 N/A LEU 202.A N ALA 197.A O no hydrogen 2.804 N/A TRP 204.A N PHE 200.A O no hydrogen 2.970 N/A SER 205.A N LEU 201.A O no hydrogen 3.045 N/A SER 205.A N LEU 202.A O no hydrogen 3.221 N/A SER 205.A OG LEU 201.A O no hydrogen 2.829 N/A SER 205.A OG LEU 202.A O no hydrogen 3.535 N/A PHE 206.A N LEU 202.A O no hydrogen 3.065 N/A PHE 206.A N PRO 203.A O no hydrogen 3.235 N/A VAL 212.A N VAL 549.A O no hydrogen 3.110 N/A VAL 216.A N ASP 213.A OD1 no hydrogen 3.189 N/A ALA 217.A N ASP 213.A O no hydrogen 3.109 N/A ARG 218.A N PRO 214.A O no hydrogen 3.020 N/A ARG 218.A NH2 ASP 280.A OD1 no hydrogen 2.733 N/A THR 219.A N LEU 215.A O no hydrogen 2.925 N/A THR 219.A OG1 LEU 215.A O no hydrogen 2.510 N/A LEU 220.A N VAL 216.A O no hydrogen 2.893 N/A PHE 221.A N ALA 217.A O no hydrogen 2.980 N/A TRP 222.A N ARG 218.A O no hydrogen 3.134 N/A TRP 222.A NE1 TYR 129.A OH no hydrogen 3.015 N/A TRP 223.A N THR 219.A O no hydrogen 3.248 N/A TRP 223.A N LEU 220.A O no hydrogen 3.010 N/A TRP 223.A NE1 LEU 188.A O no hydrogen 3.041 N/A THR 224.A OG1 ALA 189.A O no hydrogen 2.871 N/A GLY 225.A N PHE 221.A O no hydrogen 2.662 N/A HIS 226.A N TRP 222.A O no hydrogen 3.505 N/A ILE 228.A N THR 224.A O no hydrogen 2.930 N/A VAL 229.A N HIS 226.A O no hydrogen 2.896 N/A PHE 231.A N PRO 227.A O no hydrogen 2.779 N/A TRP 232.A N ILE 228.A O no hydrogen 3.015 N/A LEU 233.A N VAL 229.A O no hydrogen 2.855 N/A LEU 234.A N TYR 230.A O no hydrogen 2.983 N/A TYR 237.A N LEU 233.A O no hydrogen 3.101 N/A TYR 237.A OH SER 302.A OG no hydrogen 2.608 N/A ALA 238.A N LEU 234.A O no hydrogen 2.685 N/A ILE 239.A N PRO 235.A O no hydrogen 3.240 N/A ILE 240.A N ALA 236.A O no hydrogen 2.857 N/A TYR 241.A N TYR 237.A O no hydrogen 2.831 N/A TYR 241.A OH THR 305.A OG1 no hydrogen 2.817 N/A THR 242.A N ALA 238.A O no hydrogen 3.157 N/A THR 242.A OG1 ALA 238.A O no hydrogen 2.813 N/A ILE 243.A N ILE 239.A O no hydrogen 2.933 N/A LEU 244.A N ILE 239.A O no hydrogen 2.917 N/A GLN 247.A N ILE 243.A O no hydrogen 3.184 N/A ALA 248.A N LEU 244.A O no hydrogen 2.882 N/A ALA 248.A N PRO 245.A O no hydrogen 3.319 N/A GLY 249.A N LYS 246.A O no hydrogen 2.943 N/A GLY 250.A N PRO 245.A O no hydrogen 2.773 N/A LEU 252.A N GLU 503.A O no hydrogen 3.034 N/A VAL 253.A N SER 312.A OG no hydrogen 2.976 N/A MET 257.A N SER 254.A OG no hydrogen 3.143 N/A ARG 259.A N ASP 255.A O no hydrogen 3.009 N/A ARG 259.A NE ASP 255.A OD1 no hydrogen 3.350 N/A ARG 259.A NE ASP 255.A OD2 no hydrogen 3.030 N/A ARG 259.A NH1 THR 172.A O no hydrogen 2.820 N/A ARG 259.A NH2 THR 172.A O no hydrogen 2.848 N/A ARG 259.A NH2 ASP 255.A OD1 no hydrogen 3.319 N/A LEU 260.A N PRO 256.A O no hydrogen 2.923 N/A ALA 261.A N MET 257.A O no hydrogen 3.098 N/A PHE 262.A N ALA 258.A O no hydrogen 3.341 N/A LEU 263.A N ARG 259.A O no hydrogen 2.837 N/A LEU 264.A N LEU 260.A O no hydrogen 2.810 N/A PHE 265.A N ALA 261.A O no hydrogen 3.176 N/A LEU 266.A N PHE 262.A O no hydrogen 3.157 N/A LEU 267.A N LEU 263.A O no hydrogen 2.972 N/A LEU 268.A N LEU 264.A O no hydrogen 2.920 N/A SER 269.A N PHE 265.A O no hydrogen 3.242 N/A SER 269.A OG PHE 265.A O no hydrogen 2.379 N/A VAL 272.A N THR 270.A O no hydrogen 2.727 N/A HIS 275.A N VAL 272.A O no hydrogen 3.167 N/A HIS 275.A ND1 THR 295.A OG1 no hydrogen 3.115 N/A HIS 275.A NE2 HIS 276.A NE2 no hydrogen 2.613 N/A HIS 276.A N GLY 273.A O no hydrogen 2.895 N/A GLN 277.A N PHE 274.A O no hydrogen 2.938 N/A GLN 277.A NE2 THR 219.A OG1 no hydrogen 3.073 N/A GLN 277.A NE2 ASP 280.A OD1 no hydrogen 3.371 N/A ASP 280.A N GLN 277.A O no hydrogen 3.394 N/A THR 286.A N ASP 284.A OD2 no hydrogen 2.972 N/A THR 286.A OG1 ASP 284.A OD2 no hydrogen 2.664 N/A LYS 288.A N ASP 284.A O no hydrogen 3.164 N/A LYS 288.A NZ GLN 277.A O no hydrogen 3.401 N/A LYS 288.A NZ PHE 278.A O no hydrogen 2.865 N/A LYS 288.A NZ ASP 280.A O no hydrogen 2.704 N/A MET 289.A N PRO 285.A O no hydrogen 2.956 N/A ILE 290.A N THR 286.A O no hydrogen 2.904 N/A HIS 291.A N TRP 287.A O no hydrogen 2.909 N/A SER 292.A N LYS 288.A O no hydrogen 2.749 N/A SER 292.A OG ALA 360.A O no hydrogen 2.707 N/A VAL 293.A N MET 289.A O no hydrogen 3.000 N/A LEU 294.A N ILE 290.A O no hydrogen 2.979 N/A THR 295.A N HIS 291.A O no hydrogen 2.906 N/A THR 295.A OG1 HIS 275.A ND1 no hydrogen 3.115 N/A THR 295.A OG1 HIS 291.A O no hydrogen 2.515 N/A LEU 296.A N SER 292.A O no hydrogen 3.170 N/A LEU 296.A N VAL 293.A O no hydrogen 2.787 N/A PHE 297.A N VAL 293.A O no hydrogen 3.004 N/A VAL 298.A N LEU 294.A O no hydrogen 2.962 N/A ALA 299.A N LEU 296.A O no hydrogen 3.136 N/A VAL 300.A N PHE 297.A O no hydrogen 2.830 N/A SER 302.A OG TYR 237.A OH no hydrogen 2.608 N/A LEU 303.A N ALA 299.A O no hydrogen 2.987 N/A MET 304.A N VAL 300.A O no hydrogen 2.794 N/A THR 305.A N PRO 301.A O no hydrogen 2.921 N/A THR 305.A OG1 TYR 241.A OH no hydrogen 2.817 N/A THR 305.A OG1 PRO 301.A O no hydrogen 2.696 N/A ALA 306.A N SER 302.A O no hydrogen 3.216 N/A PHE 307.A N LEU 303.A O no hydrogen 3.394 N/A PHE 307.A N MET 304.A O no hydrogen 2.789 N/A THR 308.A N MET 304.A O no hydrogen 3.123 N/A THR 308.A OG1 MET 304.A O no hydrogen 3.398 N/A VAL 309.A N THR 305.A O no hydrogen 2.894 N/A ALA 310.A N ALA 306.A O no hydrogen 3.304 N/A ALA 311.A N PHE 307.A O no hydrogen 2.655 N/A SER 312.A N THR 308.A O no hydrogen 2.951 N/A SER 312.A OG LYS 251.A O no hydrogen 3.155 N/A SER 312.A OG THR 308.A O no hydrogen 3.180 N/A LEU 313.A N VAL 309.A O no hydrogen 2.892 N/A GLU 314.A N ALA 310.A O no hydrogen 2.783 N/A PHE 315.A N ALA 311.A O no hydrogen 2.765 N/A ALA 316.A N SER 312.A O no hydrogen 2.918 N/A GLY 317.A N LEU 313.A O no hydrogen 2.789 N/A ARG 318.A N GLU 314.A O no hydrogen 2.787 N/A ARG 318.A NH1 GLY 324.A O no hydrogen 2.968 N/A LEU 319.A N PHE 315.A O no hydrogen 3.174 N/A ARG 320.A N ALA 316.A O no hydrogen 3.093 N/A ARG 320.A NE ALA 331.A O no hydrogen 2.830 N/A ARG 320.A NH1 ALA 331.A O no hydrogen 3.467 N/A GLY 321.A N ARG 318.A O no hydrogen 2.516 N/A GLY 322.A N ARG 318.A O no hydrogen 2.950 N/A ALA 331.A N GLY 327.A O no hydrogen 3.080 N/A LEU 332.A N ILE 329.A O no hydrogen 3.496 N/A TRP 334.A N LEU 332.A O no hydrogen 3.029 N/A TRP 334.A NE1 ILE 329.A O no hydrogen 2.775 N/A ASN 336.A N PRO 333.A O no hydrogen 2.823 N/A ALA 338.A N ASN 336.A OD1 no hydrogen 3.067 N/A PHE 339.A N ASN 336.A O no hydrogen 2.801 N/A VAL 340.A N ASN 336.A O no hydrogen 3.018 N/A ALA 341.A N PRO 337.A O no hydrogen 3.000 N/A VAL 343.A N PHE 339.A O no hydrogen 3.389 N/A VAL 343.A N VAL 340.A O no hydrogen 2.786 N/A LEU 344.A N VAL 340.A O no hydrogen 3.047 N/A GLY 345.A N ALA 341.A O no hydrogen 3.101 N/A LEU 346.A N PRO 342.A O no hydrogen 3.024 N/A LEU 347.A N VAL 343.A O no hydrogen 2.936 N/A GLY 348.A N LEU 344.A O no hydrogen 3.109 N/A PHE 349.A N GLY 345.A O no hydrogen 3.041 N/A ILE 350.A N LEU 347.A O no hydrogen 2.790 N/A GLY 352.A N GLY 348.A O no hydrogen 3.095 N/A GLY 353.A N PHE 349.A O no hydrogen 3.037 N/A ALA 354.A N ILE 350.A O no hydrogen 3.161 N/A GLY 355.A N PRO 351.A O no hydrogen 2.959 N/A GLY 356.A N GLY 352.A O no hydrogen 3.154 N/A ILE 357.A N GLY 353.A O no hydrogen 2.890 N/A VAL 358.A N ALA 354.A O no hydrogen 3.167 N/A ASN 359.A N GLY 355.A O no hydrogen 2.982 N/A ALA 360.A N GLY 356.A O no hydrogen 2.832 N/A SER 361.A N VAL 358.A O no hydrogen 2.931 N/A SER 361.A OG ILE 357.A O no hydrogen 2.857 N/A THR 363.A OG1 SER 361.A O no hydrogen 3.493 N/A LEU 364.A N SER 361.A O no hydrogen 3.107 N/A ASP 365.A N PHE 362.A O no hydrogen 2.821 N/A TYR 366.A N THR 363.A O no hydrogen 3.173 N/A TYR 366.A OH PHE 278.A O no hydrogen 2.869 N/A VAL 367.A N LEU 364.A O no hydrogen 3.039 N/A VAL 368.A N ASP 365.A O no hydrogen 2.901 N/A HIS 369.A N ASP 365.A O no hydrogen 2.749 N/A THR 371.A N VAL 368.A O no hydrogen 3.042 N/A THR 371.A OG1 VAL 368.A O no hydrogen 2.335 N/A THR 371.A OG1 GLY 436.A O no hydrogen 3.521 N/A ALA 372.A N VAL 440.A O no hydrogen 2.744 N/A TRP 373.A NE1 ASN 359.A OD1 no hydrogen 2.845 N/A VAL 374.A N THR 371.A O no hydrogen 3.035 N/A GLY 376.A N ALA 372.A O no hydrogen 3.098 N/A HIS 377.A N TRP 373.A O no hydrogen 2.700 N/A HIS 377.A ND1 GLY 352.A O no hydrogen 3.015 N/A PHE 378.A N VAL 374.A O no hydrogen 3.039 N/A HIS 379.A N PRO 375.A O no hydrogen 3.189 N/A HIS 379.A ND1 PRO 375.A O no hydrogen 2.758 N/A GLN 381.A N PHE 378.A O no hydrogen 2.908 N/A VAL 382.A N PHE 378.A O no hydrogen 2.823 N/A VAL 386.A N GLN 381.A O no hydrogen 3.420 N/A THR 387.A N VAL 382.A O no hydrogen 3.148 N/A THR 387.A OG1 VAL 382.A O no hydrogen 2.988 N/A LEU 388.A N SER 384.A O no hydrogen 2.734 N/A THR 389.A N LEU 385.A O no hydrogen 2.928 N/A THR 389.A OG1 LEU 385.A O no hydrogen 2.431 N/A ALA 390.A N VAL 386.A O no hydrogen 2.962 N/A MET 391.A N THR 387.A O no hydrogen 2.803 N/A GLY 392.A N LEU 388.A O no hydrogen 2.678 N/A SER 393.A N THR 389.A O no hydrogen 2.911 N/A SER 393.A OG THR 389.A O no hydrogen 3.235 N/A LEU 394.A N MET 391.A O no hydrogen 3.038 N/A TYR 395.A N GLY 392.A O no hydrogen 2.999 N/A TRP 396.A N SER 393.A O no hydrogen 3.419 N/A LEU 397.A N SER 393.A O no hydrogen 2.827 N/A LEU 398.A N LEU 394.A O no hydrogen 3.138 N/A ASN 400.A N TRP 396.A O no hydrogen 3.279 N/A ASN 400.A ND2 ALA 497.A O no hydrogen 3.173 N/A LEU 401.A N LEU 397.A O no hydrogen 2.945 N/A LEU 401.A N LEU 398.A O no hydrogen 3.110 N/A THR 402.A N LEU 398.A O no hydrogen 2.890 N/A THR 402.A OG1 LEU 398.A O no hydrogen 2.688 N/A GLY 403.A N PRO 399.A O no hydrogen 2.699 N/A LYS 404.A N THR 402.A OG1 no hydrogen 3.165 N/A LYS 404.A NZ VAL 484.A O no hydrogen 3.409 N/A SER 407.A N GLN 410.A OE1 no hydrogen 2.666 N/A SER 407.A OG GLN 410.A OE1 no hydrogen 2.574 N/A GLN 410.A N SER 407.A OG no hydrogen 3.263 N/A ARG 411.A N SER 407.A O no hydrogen 3.055 N/A ARG 411.A NH1 ASP 408.A OD1 no hydrogen 3.374 N/A ARG 411.A NH1 ASP 408.A OD2 no hydrogen 2.934 N/A ARG 411.A NH2 ASP 335.A O no hydrogen 2.564 N/A ARG 412.A N ASP 408.A O no hydrogen 3.067 N/A ARG 412.A N ALA 409.A O no hydrogen 3.264 N/A LEU 413.A N ALA 409.A O no hydrogen 2.876 N/A GLY 414.A N GLN 410.A O no hydrogen 2.685 N/A LEU 415.A N ARG 411.A O no hydrogen 3.329 N/A ALA 416.A N ARG 412.A O no hydrogen 3.171 N/A VAL 417.A N LEU 413.A O no hydrogen 2.913 N/A VAL 418.A N GLY 414.A O no hydrogen 2.894 N/A TRP 419.A N LEU 415.A O no hydrogen 2.974 N/A LEU 420.A N ALA 416.A O no hydrogen 2.944 N/A TRP 421.A N VAL 417.A O no hydrogen 2.901 N/A TRP 421.A NE1 ALA 383.A O no hydrogen 2.876 N/A PHE 422.A N VAL 418.A O no hydrogen 3.131 N/A LEU 423.A N TRP 419.A O no hydrogen 2.845 N/A GLY 424.A N LEU 420.A O no hydrogen 2.575 N/A MET 425.A N TRP 421.A O no hydrogen 2.828 N/A MET 426.A N PHE 422.A O no hydrogen 3.081 N/A ILE 427.A N LEU 423.A O no hydrogen 3.065 N/A MET 428.A N GLY 424.A O no hydrogen 3.087 N/A ALA 429.A N MET 425.A O no hydrogen 3.001 N/A VAL 430.A N MET 426.A O no hydrogen 3.168 N/A VAL 430.A N ILE 427.A O no hydrogen 3.074 N/A GLY 431.A N ILE 427.A O no hydrogen 3.103 N/A LEU 432.A N MET 428.A O no hydrogen 2.753 N/A HIS 433.A N ALA 429.A O no hydrogen 3.155 N/A HIS 433.A ND1 ALA 429.A O no hydrogen 2.320 N/A TRP 434.A N VAL 430.A O no hydrogen 2.917 N/A ALA 435.A N GLY 431.A O no hydrogen 2.890 N/A GLY 436.A N LEU 432.A O no hydrogen 2.913 N/A LEU 437.A N HIS 433.A O no hydrogen 3.083 N/A LEU 438.A N TRP 434.A O no hydrogen 3.121 N/A LEU 438.A N ALA 435.A O no hydrogen 2.964 N/A ASN 439.A N GLY 436.A O no hydrogen 3.288 N/A VAL 440.A N ALA 435.A O no hydrogen 3.074 N/A ARG 442.A N ASN 370.A O no hydrogen 2.886 N/A ARG 443.A NH1 THR 127.A OG1 no hydrogen 2.744 N/A ARG 443.A NH2 THR 127.A OG1 no hydrogen 3.156 N/A ALA 444.A N TYR 39.A OH no hydrogen 3.281 N/A TYR 445.A N TYR 59.A OH no hydrogen 2.954 N/A TYR 445.A OH ASP 43.A OD2 no hydrogen 2.675 N/A ALA 447.A N ASN 38.A OD1 no hydrogen 2.992 N/A GLN 448.A N TYR 445.A O no hydrogen 3.198 N/A VAL 449.A N ILE 446.A O no hydrogen 3.220 N/A ALA 452.A N VAL 449.A O no hydrogen 3.069 N/A ALA 456.A N TYR 453.A O no hydrogen 3.188 N/A MET 460.A N ALA 456.A O no hydrogen 3.126 N/A VAL 461.A N VAL 458.A O no hydrogen 3.010 N/A PHE 462.A N VAL 458.A O no hydrogen 3.439 N/A ASN 463.A N PRO 459.A O no hydrogen 3.085 N/A ASN 463.A ND2 TYR 39.A O no hydrogen 2.886 N/A VAL 464.A N MET 460.A O no hydrogen 3.214 N/A LEU 465.A N VAL 461.A O no hydrogen 2.879 N/A ALA 466.A N PHE 462.A O no hydrogen 2.845 N/A GLY 467.A N ASN 463.A O no hydrogen 2.959 N/A ILE 468.A N VAL 464.A O no hydrogen 3.226 N/A ILE 468.A N LEU 465.A O no hydrogen 2.810 N/A VAL 469.A N LEU 465.A O no hydrogen 2.920 N/A LEU 470.A N ALA 466.A O no hydrogen 2.729 N/A LEU 471.A N GLY 467.A O no hydrogen 3.107 N/A VAL 472.A N ILE 468.A O no hydrogen 3.179 N/A ALA 473.A N VAL 469.A O no hydrogen 2.964 N/A LEU 474.A N LEU 470.A O no hydrogen 2.779 N/A LEU 475.A N LEU 471.A O no hydrogen 2.872 N/A LEU 476.A N VAL 472.A O no hydrogen 2.920 N/A PHE 477.A N ALA 473.A O no hydrogen 2.864 N/A ILE 478.A N LEU 474.A O no hydrogen 2.940 N/A TYR 479.A N LEU 475.A O no hydrogen 2.846 N/A GLY 480.A N LEU 476.A O no hydrogen 3.000 N/A LEU 481.A N PHE 477.A O no hydrogen 2.734 N/A PHE 482.A N ILE 478.A O no hydrogen 2.968 N/A SER 483.A N TYR 479.A O no hydrogen 2.950 N/A SER 483.A OG GLY 480.A O no hydrogen 2.978 N/A VAL 484.A N GLY 480.A O no hydrogen 3.393 N/A LEU 485.A N LEU 481.A O no hydrogen 3.004 N/A SER 487.A OG SER 483.A O no hydrogen 3.519 N/A GLU 493.A N GLU 493.A OE1 no hydrogen 2.724 N/A LEU 494.A N LYS 491.A O no hydrogen 3.223 N/A GLU 496.A N PRO 492.A O no hydrogen 2.894 N/A PHE 501.A N LEU 499.A O no hydrogen 2.614 N/A ALA 502.A N THR 242.A O no hydrogen 2.971 N/A ILE 505.A N LEU 252.A O no hydrogen 2.970 N/A SER 506.A OG ASP 510.A OD1 no hydrogen 2.568 N/A GLY 507.A N ASP 510.A OD1 no hydrogen 3.147 N/A GLY 507.A N ASP 510.A OD2 no hydrogen 3.102 N/A VAL 514.A N ASP 510.A O no hydrogen 2.716 N/A LEU 515.A N ARG 511.A O no hydrogen 2.762 N/A ALA 516.A N ARG 512.A O no hydrogen 3.052 N/A MET 517.A N LEU 513.A O no hydrogen 3.178 N/A ASP 518.A N VAL 514.A O no hydrogen 3.146 N/A ASP 518.A N LEU 515.A O no hydrogen 3.230 N/A ARG 519.A N ALA 516.A O no hydrogen 3.343 N/A ILE 520.A N ASP 518.A O no hydrogen 2.599 N/A TRP 523.A N ARG 519.A O no hydrogen 3.121 N/A TRP 523.A NE1 ALA 516.A O no hydrogen 3.048 N/A PHE 524.A N ILE 520.A O no hydrogen 2.758 N/A ALA 525.A N GLY 521.A O no hydrogen 3.151 N/A VAL 526.A N PHE 522.A O no hydrogen 2.995 N/A ALA 527.A N TRP 523.A O no hydrogen 2.915 N/A ALA 528.A N PHE 524.A O no hydrogen 2.989 N/A ILE 529.A N ALA 525.A O no hydrogen 2.975 N/A LEU 530.A N VAL 526.A O no hydrogen 3.056 N/A VAL 531.A N ALA 527.A O no hydrogen 3.305 N/A VAL 532.A N ALA 528.A O no hydrogen 3.064 N/A LEU 533.A N ILE 529.A O no hydrogen 2.837 N/A ALA 534.A N LEU 530.A O no hydrogen 2.873 N/A TYR 535.A N VAL 531.A O no hydrogen 2.845 N/A GLY 536.A N VAL 532.A O no hydrogen 2.623 N/A LEU 539.A N TYR 535.A O no hydrogen 2.885 N/A VAL 540.A N GLY 536.A O no hydrogen 2.966 N/A GLN 541.A N PRO 537.A O no hydrogen 3.308 N/A LEU 542.A N THR 538.A O no hydrogen 2.974 N/A LEU 542.A N LEU 539.A O no hydrogen 3.249 N/A PHE 543.A N LEU 539.A O no hydrogen 2.905 N/A GLY 544.A N VAL 540.A O no hydrogen 3.113 N/A HIS 545.A N LEU 542.A O no hydrogen 3.268 N/A ASN 547.A N ASP 213.A OD2 no hydrogen 2.560 N/A VAL 549.A N VAL 212.A O no hydrogen 3.128 N/A TRP 552.A N PRO 131.A O no hydrogen 2.874 N/A ARG 553.A NE TRP 555.A OXT no hydrogen 3.190 N/A ARG 553.A NH2 GLU 121.A OE1 no hydrogen 3.348 N/A ARG 553.A NH2 GLU 121.A OE2 no hydrogen 3.428 N/A TRP 555.A NE1 ASN 120.A O no hydrogen 2.799 N/A