Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s3d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 7.A N ARG 3.A O no hydrogen 2.876 N/A TYR 8.A N VAL 4.A O no hydrogen 3.117 N/A GLU 10.A N GLU 10.A OE1 no hydrogen 2.976 N/A LYS 11.A N TYR 8.A O no hydrogen 3.222 N/A ALA 13.A N PRO 9.A O no hydrogen 3.176 N/A THR 14.A N GLU 10.A O no hydrogen 3.198 N/A THR 14.A OG1 GLU 10.A O no hydrogen 2.774 N/A LEU 15.A N LYS 11.A O no hydrogen 2.896 N/A TYR 16.A N LYS 12.A O no hydrogen 3.006 N/A PHE 17.A N ALA 13.A O no hydrogen 3.261 N/A LEU 18.A N THR 14.A O no hydrogen 3.100 N/A VAL 19.A N LEU 15.A O no hydrogen 2.750 N/A LEU 20.A N TYR 16.A O no hydrogen 3.051 N/A GLY 21.A N PHE 17.A O no hydrogen 2.803 N/A PHE 22.A N LEU 18.A O no hydrogen 2.822 N/A LEU 23.A N VAL 19.A O no hydrogen 2.975 N/A ALA 24.A N LEU 20.A O no hydrogen 3.139 N/A LEU 25.A N GLY 21.A O no hydrogen 3.135 N/A ILE 26.A N PHE 22.A O no hydrogen 3.054 N/A VAL 27.A N LEU 23.A O no hydrogen 2.989 N/A GLY 28.A N ALA 24.A O no hydrogen 2.847 N/A SER 29.A N LEU 25.A O no hydrogen 2.941 N/A SER 29.A OG LEU 25.A O no hydrogen 2.788 N/A SER 29.A OG ASN 69.A OD1 no hydrogen 3.000 N/A LEU 30.A N ILE 26.A O no hydrogen 3.183 N/A PHE 31.A N GLY 28.A O no hydrogen 3.385 N/A GLY 32.A N SER 29.A O no hydrogen 2.837 N/A GLN 35.A N PHE 31.A O no hydrogen 3.137 N/A ALA 36.A N GLY 32.A O no hydrogen 2.993 N/A LEU 37.A N PRO 33.A O no hydrogen 2.920 N/A ASN 38.A N PHE 34.A O no hydrogen 2.916 N/A ASN 38.A ND2 ALA 444.A O no hydrogen 3.112 N/A TYR 39.A N GLN 35.A O no hydrogen 3.159 N/A TYR 39.A OH PRO 441.A O no hydrogen 2.940 N/A GLY 40.A N LEU 37.A O no hydrogen 2.385 N/A ASN 41.A N ASN 38.A O no hydrogen 3.034 N/A VAL 42.A N LEU 37.A O no hydrogen 3.102 N/A TYR 45.A N ASP 43.A OD2 no hydrogen 3.058 N/A LEU 47.A N ALA 44.A O no hydrogen 2.998 N/A LEU 48.A N ALA 44.A O no hydrogen 3.360 N/A LYS 49.A N TYR 45.A O no hydrogen 2.643 N/A LYS 49.A NZ PRO 53.A O no hydrogen 3.342 N/A ARG 50.A N PRO 46.A O no hydrogen 3.010 N/A LEU 51.A N LEU 47.A O no hydrogen 3.025 N/A LEU 52.A N LEU 48.A O no hydrogen 2.673 N/A VAL 55.A N LEU 52.A O no hydrogen 3.180 N/A GLN 56.A N GLN 60.A OE1 no hydrogen 2.756 N/A GLN 56.A NE2 PRO 53.A O no hydrogen 3.564 N/A GLN 56.A NE2 PHE 54.A O no hydrogen 3.080 N/A GLN 60.A N SER 57.A OG no hydrogen 3.253 N/A GLN 60.A NE2 LEU 117.A O no hydrogen 2.711 N/A GLN 60.A NE2 LEU 118.A O no hydrogen 3.248 N/A GLY 61.A N SER 57.A O no hydrogen 3.363 N/A LEU 62.A N TYR 58.A O no hydrogen 2.959 N/A THR 63.A N TYR 59.A O no hydrogen 3.038 N/A THR 63.A OG1 TYR 59.A O no hydrogen 2.859 N/A LEU 64.A N GLN 60.A O no hydrogen 2.930 N/A HIS 65.A N GLY 61.A O no hydrogen 2.661 N/A HIS 65.A ND1 GLY 28.A O no hydrogen 3.257 N/A GLY 66.A N LEU 62.A O no hydrogen 2.895 N/A VAL 67.A N THR 63.A O no hydrogen 2.959 N/A LEU 68.A N LEU 64.A O no hydrogen 3.183 N/A ASN 69.A N HIS 65.A O no hydrogen 3.298 N/A ASN 69.A ND2 LEU 25.A O no hydrogen 3.367 N/A ALA 70.A N GLY 66.A O no hydrogen 2.913 N/A ILE 71.A N VAL 67.A O no hydrogen 3.135 N/A VAL 72.A N VAL 67.A O no hydrogen 2.925 N/A PHE 73.A N LEU 68.A O no hydrogen 2.869 N/A THR 74.A OG1 ALA 70.A O no hydrogen 2.574 N/A GLN 75.A N ILE 71.A O no hydrogen 3.395 N/A GLN 75.A NE2 GLN 79.A OE1 no hydrogen 3.426 N/A GLN 75.A NE2 PHE 145.A O no hydrogen 2.947 N/A LEU 76.A N VAL 72.A O no hydrogen 3.040 N/A PHE 77.A N PHE 73.A O no hydrogen 2.906 N/A ALA 78.A N THR 74.A O no hydrogen 3.003 N/A GLN 79.A N GLN 75.A O no hydrogen 3.044 N/A GLN 79.A NE2 SER 148.A OG no hydrogen 2.667 N/A GLN 79.A NE2 SER 152.A OG no hydrogen 3.239 N/A ALA 80.A N LEU 76.A O no hydrogen 3.089 N/A ILE 81.A N PHE 77.A O no hydrogen 2.895 N/A MET 82.A N ALA 78.A O no hydrogen 2.601 N/A TYR 84.A N ALA 80.A O no hydrogen 2.969 N/A TYR 84.A OH ASN 400.A OD1 no hydrogen 2.591 N/A LEU 85.A N ILE 81.A O no hydrogen 3.201 N/A ALA 87.A N VAL 83.A O no hydrogen 3.089 N/A ARG 88.A N TYR 84.A O no hydrogen 2.805 N/A ARG 88.A NH1 ASN 91.A OD1 no hydrogen 3.109 N/A GLU 89.A N LEU 85.A O no hydrogen 3.082 N/A LEU 90.A N PRO 86.A O no hydrogen 3.378 N/A MET 92.A N ALA 87.A O no hydrogen 3.125 N/A ARG 93.A NH1 ALA 7.A O no hydrogen 2.717 N/A LEU 98.A N ASN 95.A OD1 no hydrogen 3.246 N/A MET 99.A N ASN 95.A O no hydrogen 3.084 N/A TRP 100.A N MET 96.A O no hydrogen 3.198 N/A LEU 101.A N GLY 97.A O no hydrogen 3.070 N/A SER 102.A N LEU 98.A O no hydrogen 2.948 N/A SER 102.A N MET 99.A O no hydrogen 3.090 N/A SER 102.A OG MET 99.A O no hydrogen 2.875 N/A TRP 103.A N MET 99.A O no hydrogen 3.234 N/A TRP 104.A N TRP 100.A O no hydrogen 3.269 N/A MET 105.A N LEU 101.A O no hydrogen 2.972 N/A ALA 106.A N SER 102.A O no hydrogen 3.125 N/A PHE 107.A N TRP 103.A O no hydrogen 2.738 N/A ILE 108.A N TRP 104.A O no hydrogen 2.574 N/A GLY 109.A N MET 105.A O no hydrogen 2.675 N/A LEU 110.A N ALA 106.A O no hydrogen 2.966 N/A VAL 111.A N PHE 107.A O no hydrogen 3.105 N/A VAL 112.A N ILE 108.A O no hydrogen 2.752 N/A ALA 113.A N GLY 109.A O no hydrogen 3.168 N/A ALA 114.A N LEU 110.A O no hydrogen 2.567 N/A LEU 115.A N VAL 111.A O no hydrogen 3.343 N/A LEU 117.A N ALA 113.A O no hydrogen 3.451 N/A LEU 118.A N ALA 114.A O no hydrogen 2.794 N/A ALA 119.A N LEU 115.A O no hydrogen 2.761 N/A ASN 120.A N LEU 117.A O no hydrogen 3.207 N/A GLU 121.A N PRO 116.A O no hydrogen 2.694 N/A THR 123.A OG1 ASN 120.A OD1 no hydrogen 2.547 N/A LEU 125.A N THR 63.A OG1 no hydrogen 2.869 N/A PHE 128.A N LEU 125.A O no hydrogen 2.950 N/A LYS 133.A N TRP 552.A O no hydrogen 2.856 N/A LYS 133.A NZ TRP 204.A O no hydrogen 3.084 N/A GLY 134.A N TYR 139.A OH no hydrogen 3.097 N/A HIS 135.A N GLU 121.A O no hydrogen 2.959 N/A ALA 137.A N HIS 135.A ND1 no hydrogen 2.999 N/A PHE 138.A N HIS 135.A O no hydrogen 3.056 N/A LEU 140.A N TRP 136.A O no hydrogen 3.072 N/A GLY 141.A N ALA 137.A O no hydrogen 3.023 N/A ALA 142.A N PHE 138.A O no hydrogen 2.997 N/A SER 143.A N TYR 139.A O no hydrogen 3.088 N/A SER 143.A OG TYR 139.A O no hydrogen 2.663 N/A VAL 144.A N LEU 140.A O no hydrogen 3.120 N/A PHE 145.A N GLY 141.A O no hydrogen 2.943 N/A VAL 146.A N ALA 142.A O no hydrogen 2.665 N/A LEU 147.A N SER 143.A O no hydrogen 2.754 N/A SER 148.A N VAL 144.A O no hydrogen 2.962 N/A SER 148.A N PHE 145.A O no hydrogen 3.186 N/A SER 148.A OG SER 102.A O no hydrogen 2.606 N/A THR 149.A N VAL 146.A O no hydrogen 3.088 N/A THR 149.A OG1 VAL 146.A O no hydrogen 2.656 N/A TRP 150.A N LEU 147.A O no hydrogen 2.989 N/A TRP 150.A NE1 SER 190.A OG no hydrogen 2.801 N/A VAL 151.A N SER 148.A O no hydrogen 3.115 N/A SER 152.A N SER 148.A O no hydrogen 3.402 N/A ILE 153.A N THR 149.A O no hydrogen 2.815 N/A TYR 154.A N TRP 150.A O no hydrogen 3.323 N/A ILE 155.A N VAL 151.A O no hydrogen 2.927 N/A VAL 156.A N SER 152.A O no hydrogen 3.049 N/A LEU 157.A N ILE 153.A O no hydrogen 2.841 N/A ASP 158.A N TYR 154.A O no hydrogen 2.745 N/A LEU 159.A N ILE 155.A O no hydrogen 2.952 N/A TRP 160.A N VAL 156.A O no hydrogen 3.062 N/A TRP 160.A NE1 THR 172.A OG1 no hydrogen 3.062 N/A ARG 161.A N LEU 157.A O no hydrogen 2.707 N/A ARG 162.A N ASP 158.A O no hydrogen 2.763 N/A ARG 162.A NH1 ARG 93.A O no hydrogen 2.911 N/A ARG 162.A NH2 ARG 93.A O no hydrogen 3.298 N/A ARG 162.A NH2 ASP 158.A OD1 no hydrogen 2.803 N/A TRP 163.A N LEU 159.A O no hydrogen 3.075 N/A LYS 164.A N TRP 160.A O no hydrogen 2.848 N/A LYS 164.A NZ LYS 170.A O no hydrogen 3.502 N/A LYS 164.A NZ THR 172.A OG1 no hydrogen 3.328 N/A LYS 164.A NZ ASP 518.A OD1 no hydrogen 3.403 N/A ALA 165.A N ARG 161.A O no hydrogen 2.829 N/A ALA 166.A N ARG 162.A O no hydrogen 3.182 N/A ASN 167.A N TRP 163.A O no hydrogen 3.024 N/A ASN 167.A N LYS 164.A O no hydrogen 3.132 N/A ASN 167.A ND2 TRP 163.A O no hydrogen 3.101 N/A LYS 170.A N ASN 167.A O no hydrogen 3.337 N/A THR 172.A N ASP 518.A OD1 no hydrogen 2.763 N/A THR 172.A OG1 ASP 518.A OD1 no hydrogen 3.049 N/A THR 172.A OG1 ASP 518.A OD2 no hydrogen 2.722 N/A VAL 175.A N GLU 89.A OE1 no hydrogen 3.165 N/A THR 176.A N GLU 89.A OE2 no hydrogen 3.120 N/A THR 176.A OG1 GLU 89.A OE2 no hydrogen 2.950 N/A TYR 177.A N PRO 173.A O no hydrogen 2.787 N/A TYR 177.A OH MET 517.A O no hydrogen 2.792 N/A MET 178.A N LEU 174.A O no hydrogen 2.845 N/A ALA 179.A N VAL 175.A O no hydrogen 2.757 N/A VAL 180.A N THR 176.A O no hydrogen 2.647 N/A VAL 181.A N TYR 177.A O no hydrogen 2.983 N/A PHE 182.A N MET 178.A O no hydrogen 2.807 N/A TRP 183.A N ALA 179.A O no hydrogen 2.902 N/A TRP 183.A NE1 MET 82.A O no hydrogen 2.773 N/A LEU 184.A N VAL 180.A O no hydrogen 3.156 N/A MET 185.A N VAL 181.A O no hydrogen 3.075 N/A TRP 186.A N PHE 182.A O no hydrogen 3.069 N/A TRP 186.A NE1 THR 149.A OG1 no hydrogen 2.762 N/A PHE 187.A N TRP 183.A O no hydrogen 3.022 N/A LEU 188.A N LEU 184.A O no hydrogen 3.071 N/A ALA 189.A N MET 185.A O no hydrogen 3.003 N/A SER 190.A N TRP 186.A O no hydrogen 2.793 N/A SER 190.A OG PHE 187.A O no hydrogen 3.137 N/A GLY 192.A N ALA 189.A O no hydrogen 3.287 N/A LEU 193.A N THR 224.A OG1 no hydrogen 2.530 N/A VAL 194.A N SER 190.A O no hydrogen 3.144 N/A LEU 195.A N LEU 191.A O no hydrogen 2.809 N/A GLU 196.A N GLY 192.A O no hydrogen 2.900 N/A ALA 197.A N LEU 193.A O no hydrogen 2.763 N/A VAL 198.A N VAL 194.A O no hydrogen 2.843 N/A LEU 199.A N LEU 195.A O no hydrogen 2.719 N/A PHE 200.A N GLU 196.A O no hydrogen 2.718 N/A LEU 201.A N GLU 196.A O no hydrogen 3.135 N/A LEU 202.A N ALA 197.A O no hydrogen 2.954 N/A TRP 204.A N PHE 200.A O no hydrogen 3.117 N/A SER 205.A N LEU 201.A O no hydrogen 3.147 N/A SER 205.A OG LEU 201.A O no hydrogen 2.965 N/A SER 205.A OG LEU 202.A O no hydrogen 3.484 N/A PHE 206.A N LEU 202.A O no hydrogen 3.065 N/A GLY 207.A N TRP 204.A O no hydrogen 2.891 N/A VAL 212.A N VAL 549.A O no hydrogen 3.076 N/A VAL 216.A N ASP 213.A OD1 no hydrogen 3.233 N/A ALA 217.A N ASP 213.A O no hydrogen 2.850 N/A ARG 218.A N PRO 214.A O no hydrogen 2.972 N/A ARG 218.A NH2 ASP 280.A OD1 no hydrogen 2.568 N/A THR 219.A N LEU 215.A O no hydrogen 2.964 N/A THR 219.A OG1 LEU 215.A O no hydrogen 2.411 N/A LEU 220.A N VAL 216.A O no hydrogen 2.807 N/A PHE 221.A N ALA 217.A O no hydrogen 2.937 N/A TRP 222.A N ARG 218.A O no hydrogen 2.961 N/A TRP 222.A NE1 TYR 129.A OH no hydrogen 3.084 N/A TRP 223.A N THR 219.A O no hydrogen 3.240 N/A TRP 223.A N LEU 220.A O no hydrogen 3.161 N/A TRP 223.A NE1 LEU 188.A O no hydrogen 3.141 N/A THR 224.A OG1 ALA 189.A O no hydrogen 2.947 N/A GLY 225.A N PHE 221.A O no hydrogen 2.699 N/A HIS 226.A N TRP 222.A O no hydrogen 3.458 N/A ILE 228.A N THR 224.A O no hydrogen 2.968 N/A VAL 229.A N HIS 226.A O no hydrogen 2.796 N/A PHE 231.A N PRO 227.A O no hydrogen 2.653 N/A TRP 232.A N ILE 228.A O no hydrogen 3.037 N/A TRP 232.A N VAL 229.A O no hydrogen 3.095 N/A LEU 233.A N VAL 229.A O no hydrogen 2.911 N/A LEU 234.A N TYR 230.A O no hydrogen 2.936 N/A TYR 237.A N LEU 233.A O no hydrogen 3.071 N/A TYR 237.A OH SER 302.A OG no hydrogen 2.546 N/A ALA 238.A N LEU 234.A O no hydrogen 2.754 N/A ILE 239.A N PRO 235.A O no hydrogen 3.350 N/A ILE 240.A N ALA 236.A O no hydrogen 2.904 N/A TYR 241.A N TYR 237.A O no hydrogen 2.807 N/A TYR 241.A OH THR 305.A OG1 no hydrogen 2.725 N/A THR 242.A N ALA 238.A O no hydrogen 3.181 N/A THR 242.A OG1 ALA 238.A O no hydrogen 2.875 N/A ILE 243.A N ILE 239.A O no hydrogen 2.835 N/A LEU 244.A N ILE 239.A O no hydrogen 3.006 N/A GLN 247.A N ILE 243.A O no hydrogen 3.196 N/A ALA 248.A N LEU 244.A O no hydrogen 2.823 N/A GLY 249.A N LYS 246.A O no hydrogen 2.920 N/A GLY 250.A N PRO 245.A O no hydrogen 2.818 N/A LEU 252.A N GLU 503.A O no hydrogen 3.116 N/A VAL 253.A N SER 312.A OG no hydrogen 3.107 N/A MET 257.A N SER 254.A OG no hydrogen 3.225 N/A ALA 258.A N SER 254.A O no hydrogen 3.405 N/A ARG 259.A N ASP 255.A O no hydrogen 3.018 N/A ARG 259.A NE ASP 255.A OD1 no hydrogen 3.441 N/A ARG 259.A NE ASP 255.A OD2 no hydrogen 2.767 N/A ARG 259.A NH1 THR 172.A O no hydrogen 2.991 N/A ARG 259.A NH2 THR 172.A O no hydrogen 2.730 N/A LEU 260.A N PRO 256.A O no hydrogen 3.015 N/A ALA 261.A N MET 257.A O no hydrogen 3.052 N/A PHE 262.A N ALA 258.A O no hydrogen 3.302 N/A LEU 263.A N ARG 259.A O no hydrogen 2.811 N/A LEU 264.A N LEU 260.A O no hydrogen 2.861 N/A PHE 265.A N ALA 261.A O no hydrogen 3.112 N/A LEU 266.A N PHE 262.A O no hydrogen 3.155 N/A LEU 267.A N LEU 263.A O no hydrogen 3.031 N/A LEU 268.A N LEU 264.A O no hydrogen 2.846 N/A SER 269.A OG PHE 265.A O no hydrogen 2.493 N/A VAL 272.A N THR 270.A O no hydrogen 2.798 N/A HIS 275.A N VAL 272.A O no hydrogen 2.852 N/A HIS 275.A ND1 THR 295.A OG1 no hydrogen 2.917 N/A HIS 276.A N GLY 273.A O no hydrogen 2.802 N/A GLN 277.A N PHE 274.A O no hydrogen 2.881 N/A GLN 277.A NE2 THR 219.A OG1 no hydrogen 2.785 N/A GLN 277.A NE2 ASP 280.A OD1 no hydrogen 3.446 N/A ASP 280.A N GLN 277.A O no hydrogen 3.009 N/A THR 286.A N ASP 284.A OD2 no hydrogen 2.867 N/A LYS 288.A N ASP 284.A O no hydrogen 3.328 N/A LYS 288.A NZ GLN 277.A O no hydrogen 2.655 N/A LYS 288.A NZ PHE 278.A O no hydrogen 2.696 N/A LYS 288.A NZ ASP 280.A O no hydrogen 2.877 N/A MET 289.A N PRO 285.A O no hydrogen 3.023 N/A ILE 290.A N THR 286.A O no hydrogen 2.885 N/A HIS 291.A N TRP 287.A O no hydrogen 3.077 N/A SER 292.A N LYS 288.A O no hydrogen 2.750 N/A SER 292.A OG ALA 360.A O no hydrogen 2.920 N/A VAL 293.A N MET 289.A O no hydrogen 2.972 N/A LEU 294.A N ILE 290.A O no hydrogen 2.973 N/A THR 295.A N HIS 291.A O no hydrogen 2.945 N/A THR 295.A OG1 HIS 275.A ND1 no hydrogen 2.917 N/A THR 295.A OG1 HIS 291.A O no hydrogen 2.708 N/A LEU 296.A N SER 292.A O no hydrogen 3.160 N/A PHE 297.A N VAL 293.A O no hydrogen 3.043 N/A VAL 298.A N LEU 294.A O no hydrogen 3.033 N/A ALA 299.A N LEU 296.A O no hydrogen 2.985 N/A VAL 300.A N PHE 297.A O no hydrogen 2.786 N/A SER 302.A OG TYR 237.A OH no hydrogen 2.546 N/A LEU 303.A N ALA 299.A O no hydrogen 3.096 N/A LEU 303.A N VAL 300.A O no hydrogen 2.756 N/A MET 304.A N VAL 300.A O no hydrogen 2.781 N/A THR 305.A N PRO 301.A O no hydrogen 3.020 N/A THR 305.A OG1 TYR 241.A OH no hydrogen 2.725 N/A THR 305.A OG1 PRO 301.A O no hydrogen 2.575 N/A ALA 306.A N SER 302.A O no hydrogen 3.217 N/A PHE 307.A N MET 304.A O no hydrogen 2.852 N/A THR 308.A N MET 304.A O no hydrogen 3.168 N/A THR 308.A OG1 MET 304.A O no hydrogen 3.520 N/A VAL 309.A N THR 305.A O no hydrogen 2.969 N/A ALA 310.A N ALA 306.A O no hydrogen 3.438 N/A ALA 311.A N PHE 307.A O no hydrogen 2.729 N/A SER 312.A N THR 308.A O no hydrogen 3.074 N/A SER 312.A OG LYS 251.A O no hydrogen 3.393 N/A SER 312.A OG THR 308.A O no hydrogen 2.945 N/A LEU 313.A N VAL 309.A O no hydrogen 2.850 N/A GLU 314.A N ALA 310.A O no hydrogen 2.786 N/A PHE 315.A N ALA 311.A O no hydrogen 2.707 N/A ALA 316.A N SER 312.A O no hydrogen 2.637 N/A GLY 317.A N LEU 313.A O no hydrogen 2.761 N/A ARG 318.A N GLU 314.A O no hydrogen 2.733 N/A ARG 318.A NH1 GLY 324.A O no hydrogen 2.934 N/A LEU 319.A N PHE 315.A O no hydrogen 3.120 N/A ARG 320.A N ALA 316.A O no hydrogen 3.161 N/A ARG 320.A NE ALA 331.A O no hydrogen 3.088 N/A GLY 321.A N ARG 318.A O no hydrogen 2.698 N/A GLY 322.A N ARG 318.A O no hydrogen 3.153 N/A TRP 328.A NE1 LEU 325.A O no hydrogen 3.138 N/A ILE 329.A N PHE 326.A O no hydrogen 3.101 N/A ALA 331.A N GLY 327.A O no hydrogen 3.137 N/A TRP 334.A N LEU 332.A O no hydrogen 3.050 N/A TRP 334.A NE1 ILE 329.A O no hydrogen 2.519 N/A ASN 336.A N PRO 333.A O no hydrogen 2.881 N/A ALA 338.A N ASN 336.A OD1 no hydrogen 2.866 N/A PHE 339.A N ASN 336.A O no hydrogen 3.056 N/A VAL 340.A N ASN 336.A O no hydrogen 2.960 N/A ALA 341.A N PRO 337.A O no hydrogen 2.962 N/A VAL 343.A N PHE 339.A O no hydrogen 3.393 N/A LEU 344.A N VAL 340.A O no hydrogen 2.996 N/A GLY 345.A N ALA 341.A O no hydrogen 3.188 N/A LEU 346.A N PRO 342.A O no hydrogen 2.974 N/A LEU 347.A N VAL 343.A O no hydrogen 3.031 N/A GLY 348.A N LEU 344.A O no hydrogen 3.104 N/A ILE 350.A N LEU 347.A O no hydrogen 2.645 N/A GLY 352.A N GLY 348.A O no hydrogen 3.207 N/A GLY 353.A N PHE 349.A O no hydrogen 2.898 N/A ALA 354.A N ILE 350.A O no hydrogen 3.377 N/A GLY 355.A N PRO 351.A O no hydrogen 3.130 N/A GLY 356.A N GLY 352.A O no hydrogen 3.268 N/A ILE 357.A N GLY 353.A O no hydrogen 2.925 N/A VAL 358.A N ALA 354.A O no hydrogen 2.939 N/A ASN 359.A N GLY 355.A O no hydrogen 2.938 N/A ALA 360.A N GLY 356.A O no hydrogen 2.939 N/A SER 361.A N VAL 358.A O no hydrogen 2.959 N/A SER 361.A OG ILE 357.A O no hydrogen 3.045 N/A THR 363.A OG1 SER 361.A O no hydrogen 3.474 N/A LEU 364.A N SER 361.A O no hydrogen 3.211 N/A ASP 365.A N PHE 362.A O no hydrogen 2.780 N/A TYR 366.A OH PHE 278.A O no hydrogen 2.693 N/A VAL 367.A N LEU 364.A O no hydrogen 3.200 N/A VAL 368.A N ASP 365.A O no hydrogen 2.608 N/A HIS 369.A N ASP 365.A O no hydrogen 2.838 N/A THR 371.A N VAL 368.A O no hydrogen 2.884 N/A THR 371.A OG1 VAL 368.A O no hydrogen 2.427 N/A ALA 372.A N VAL 440.A O no hydrogen 2.628 N/A TRP 373.A N THR 371.A OG1 no hydrogen 3.334 N/A TRP 373.A NE1 ASN 359.A OD1 no hydrogen 2.705 N/A VAL 374.A N THR 371.A O no hydrogen 3.211 N/A GLY 376.A N ALA 372.A O no hydrogen 3.173 N/A HIS 377.A N TRP 373.A O no hydrogen 2.762 N/A HIS 377.A ND1 GLY 352.A O no hydrogen 3.111 N/A PHE 378.A N VAL 374.A O no hydrogen 3.051 N/A HIS 379.A N PRO 375.A O no hydrogen 3.226 N/A HIS 379.A ND1 PRO 375.A O no hydrogen 2.965 N/A GLN 381.A N PHE 378.A O no hydrogen 3.159 N/A VAL 382.A N PHE 378.A O no hydrogen 2.814 N/A VAL 386.A N GLN 381.A O no hydrogen 3.439 N/A THR 387.A N VAL 382.A O no hydrogen 3.035 N/A THR 387.A OG1 VAL 382.A O no hydrogen 2.977 N/A LEU 388.A N SER 384.A O no hydrogen 2.609 N/A THR 389.A N LEU 385.A O no hydrogen 2.839 N/A THR 389.A OG1 LEU 385.A O no hydrogen 2.628 N/A ALA 390.A N VAL 386.A O no hydrogen 2.957 N/A MET 391.A N THR 387.A O no hydrogen 2.818 N/A GLY 392.A N LEU 388.A O no hydrogen 2.740 N/A SER 393.A N THR 389.A O no hydrogen 2.802 N/A SER 393.A OG THR 389.A O no hydrogen 3.232 N/A LEU 394.A N ALA 390.A O no hydrogen 3.268 N/A LEU 394.A N MET 391.A O no hydrogen 2.974 N/A TYR 395.A N GLY 392.A O no hydrogen 2.868 N/A TRP 396.A N SER 393.A O no hydrogen 3.204 N/A LEU 397.A N SER 393.A O no hydrogen 2.843 N/A ASN 400.A N TRP 396.A O no hydrogen 3.265 N/A LEU 401.A N LEU 397.A O no hydrogen 2.896 N/A THR 402.A N LEU 398.A O no hydrogen 3.056 N/A THR 402.A OG1 LEU 398.A O no hydrogen 2.518 N/A GLY 403.A N PRO 399.A O no hydrogen 2.708 N/A LYS 404.A N THR 402.A OG1 no hydrogen 3.358 N/A SER 407.A N GLN 410.A OE1 no hydrogen 2.577 N/A SER 407.A OG GLN 410.A OE1 no hydrogen 2.650 N/A GLN 410.A N SER 407.A OG no hydrogen 3.240 N/A GLN 410.A NE2 SER 483.A OG no hydrogen 3.353 N/A ARG 411.A N SER 407.A O no hydrogen 2.945 N/A ARG 411.A NE ASP 408.A OD2 no hydrogen 3.381 N/A ARG 411.A NH1 ASP 408.A OD2 no hydrogen 2.951 N/A ARG 411.A NH2 ASP 335.A O no hydrogen 2.536 N/A ARG 412.A N ASP 408.A O no hydrogen 2.894 N/A LEU 413.A N ALA 409.A O no hydrogen 2.921 N/A GLY 414.A N GLN 410.A O no hydrogen 2.814 N/A LEU 415.A N ARG 411.A O no hydrogen 3.474 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 2.951 N/A VAL 418.A N GLY 414.A O no hydrogen 2.744 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 2.866 N/A TRP 421.A N VAL 417.A O no hydrogen 2.835 N/A TRP 421.A NE1 ALA 383.A O no hydrogen 2.664 N/A PHE 422.A N VAL 418.A O no hydrogen 3.019 N/A LEU 423.A N TRP 419.A O no hydrogen 2.832 N/A GLY 424.A N LEU 420.A O no hydrogen 2.625 N/A MET 425.A N TRP 421.A O no hydrogen 2.939 N/A MET 426.A N PHE 422.A O no hydrogen 2.911 N/A ILE 427.A N LEU 423.A O no hydrogen 3.003 N/A MET 428.A N GLY 424.A O no hydrogen 3.158 N/A ALA 429.A N MET 425.A O no hydrogen 3.021 N/A VAL 430.A N MET 426.A O no hydrogen 3.253 N/A GLY 431.A N ILE 427.A O no hydrogen 3.250 N/A LEU 432.A N MET 428.A O no hydrogen 2.805 N/A HIS 433.A N ALA 429.A O no hydrogen 2.774 N/A HIS 433.A ND1 ALA 429.A O no hydrogen 2.603 N/A TRP 434.A N VAL 430.A O no hydrogen 2.865 N/A ALA 435.A N GLY 431.A O no hydrogen 2.764 N/A GLY 436.A N LEU 432.A O no hydrogen 2.957 N/A LEU 437.A N HIS 433.A O no hydrogen 2.978 N/A LEU 438.A N TRP 434.A O no hydrogen 3.115 N/A LEU 438.A N ALA 435.A O no hydrogen 3.075 N/A ASN 439.A N GLY 436.A O no hydrogen 3.284 N/A VAL 440.A N ALA 435.A O no hydrogen 3.055 N/A ARG 442.A N ASN 370.A O no hydrogen 2.701 N/A ARG 443.A NH1 THR 127.A OG1 no hydrogen 2.602 N/A ALA 444.A N TYR 39.A OH no hydrogen 3.210 N/A TYR 445.A N TYR 59.A OH no hydrogen 2.854 N/A TYR 445.A OH ASP 43.A OD1 no hydrogen 3.074 N/A TYR 445.A OH ASP 43.A OD2 no hydrogen 2.989 N/A ILE 446.A N ALA 444.A O no hydrogen 2.889 N/A ALA 447.A N ASN 38.A OD1 no hydrogen 3.067 N/A GLN 448.A N TYR 445.A O no hydrogen 2.910 N/A VAL 449.A N ILE 446.A O no hydrogen 3.181 N/A ALA 452.A N VAL 449.A O no hydrogen 3.109 N/A ALA 456.A N TYR 453.A O no hydrogen 3.327 N/A MET 460.A N ALA 456.A O no hydrogen 3.086 N/A VAL 461.A N VAL 458.A O no hydrogen 2.923 N/A PHE 462.A N VAL 458.A O no hydrogen 3.294 N/A ASN 463.A N PRO 459.A O no hydrogen 2.865 N/A ASN 463.A ND2 TYR 39.A O no hydrogen 3.202 N/A VAL 464.A N MET 460.A O no hydrogen 3.015 N/A LEU 465.A N VAL 461.A O no hydrogen 2.849 N/A ALA 466.A N PHE 462.A O no hydrogen 2.813 N/A GLY 467.A N ASN 463.A O no hydrogen 3.204 N/A ILE 468.A N VAL 464.A O no hydrogen 3.312 N/A ILE 468.A N LEU 465.A O no hydrogen 3.018 N/A VAL 469.A N LEU 465.A O no hydrogen 3.024 N/A LEU 470.A N ALA 466.A O no hydrogen 2.775 N/A LEU 471.A N GLY 467.A O no hydrogen 3.133 N/A VAL 472.A N ILE 468.A O no hydrogen 3.177 N/A ALA 473.A N VAL 469.A O no hydrogen 3.045 N/A LEU 474.A N LEU 470.A O no hydrogen 2.792 N/A LEU 475.A N LEU 471.A O no hydrogen 2.961 N/A LEU 476.A N VAL 472.A O no hydrogen 2.855 N/A PHE 477.A N ALA 473.A O no hydrogen 2.800 N/A ILE 478.A N LEU 474.A O no hydrogen 2.881 N/A TYR 479.A N LEU 475.A O no hydrogen 2.936 N/A GLY 480.A N LEU 476.A O no hydrogen 2.889 N/A LEU 481.A N PHE 477.A O no hydrogen 2.892 N/A PHE 482.A N ILE 478.A O no hydrogen 3.133 N/A SER 483.A N TYR 479.A O no hydrogen 2.885 N/A SER 483.A OG GLY 480.A O no hydrogen 2.927 N/A VAL 484.A N GLY 480.A O no hydrogen 3.129 N/A LEU 485.A N LEU 481.A O no hydrogen 2.839 N/A SER 487.A OG VAL 484.A O no hydrogen 3.553 N/A GLU 493.A N GLU 493.A OE1 no hydrogen 2.751 N/A LEU 494.A N LYS 491.A O no hydrogen 3.276 N/A GLU 496.A N GLU 493.A O no hydrogen 3.213 N/A PHE 501.A N LEU 499.A O no hydrogen 2.722 N/A ALA 502.A N THR 242.A O no hydrogen 2.885 N/A ILE 505.A N LEU 252.A O no hydrogen 3.054 N/A SER 506.A OG ASP 510.A OD1 no hydrogen 2.820 N/A GLY 507.A N ASP 510.A OD1 no hydrogen 3.013 N/A GLY 507.A N ASP 510.A OD2 no hydrogen 2.913 N/A VAL 514.A N ASP 510.A O no hydrogen 2.812 N/A LEU 515.A N ARG 511.A O no hydrogen 2.733 N/A ALA 516.A N ARG 512.A O no hydrogen 3.165 N/A MET 517.A N LEU 513.A O no hydrogen 3.205 N/A ASP 518.A N VAL 514.A O no hydrogen 3.028 N/A ASP 518.A N LEU 515.A O no hydrogen 3.040 N/A ARG 519.A N ALA 516.A O no hydrogen 3.446 N/A PHE 522.A N ARG 519.A O no hydrogen 3.094 N/A TRP 523.A N ARG 519.A O no hydrogen 3.162 N/A TRP 523.A NE1 ALA 516.A O no hydrogen 3.108 N/A PHE 524.A N ILE 520.A O no hydrogen 3.021 N/A ALA 525.A N GLY 521.A O no hydrogen 3.433 N/A VAL 526.A N PHE 522.A O no hydrogen 3.050 N/A ALA 527.A N TRP 523.A O no hydrogen 2.869 N/A ALA 528.A N PHE 524.A O no hydrogen 3.062 N/A ILE 529.A N ALA 525.A O no hydrogen 3.055 N/A LEU 530.A N VAL 526.A O no hydrogen 3.173 N/A VAL 531.A N ALA 527.A O no hydrogen 3.396 N/A VAL 532.A N ALA 528.A O no hydrogen 3.181 N/A LEU 533.A N ILE 529.A O no hydrogen 2.731 N/A ALA 534.A N LEU 530.A O no hydrogen 2.632 N/A TYR 535.A N VAL 531.A O no hydrogen 2.789 N/A GLY 536.A N VAL 532.A O no hydrogen 2.793 N/A LEU 539.A N TYR 535.A O no hydrogen 2.854 N/A VAL 540.A N GLY 536.A O no hydrogen 2.913 N/A LEU 542.A N THR 538.A O no hydrogen 2.871 N/A PHE 543.A N LEU 539.A O no hydrogen 2.939 N/A GLY 544.A N VAL 540.A O no hydrogen 2.852 N/A HIS 545.A N LEU 542.A O no hydrogen 3.190 N/A ASN 547.A N ASP 213.A OD2 no hydrogen 2.682 N/A VAL 549.A N VAL 212.A O no hydrogen 2.949 N/A TRP 552.A N PRO 131.A O no hydrogen 3.072 N/A ARG 553.A NE TRP 555.A OXT no hydrogen 3.424 N/A ARG 553.A NH2 GLU 121.A OE1 no hydrogen 3.333 N/A TRP 555.A NE1 ASN 120.A O no hydrogen 3.028 N/A