Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qjr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH LEU 398.A O no hydrogen 3.223 N/A GLU 7.A N GLU 7.A OE1 no hydrogen 3.064 N/A LYS 8.A N TYR 5.A O no hydrogen 3.125 N/A LYS 9.A N PRO 6.A O no hydrogen 3.088 N/A ALA 10.A N PRO 6.A O no hydrogen 3.368 N/A THR 11.A N GLU 7.A O no hydrogen 2.949 N/A THR 11.A OG1 GLU 7.A O no hydrogen 3.076 N/A LEU 12.A N LYS 8.A O no hydrogen 3.177 N/A TYR 13.A N LYS 9.A O no hydrogen 2.962 N/A PHE 14.A N ALA 10.A O no hydrogen 3.183 N/A LEU 15.A N THR 11.A O no hydrogen 3.218 N/A VAL 16.A N LEU 12.A O no hydrogen 2.835 N/A LEU 17.A N TYR 13.A O no hydrogen 3.312 N/A GLY 18.A N PHE 14.A O no hydrogen 2.858 N/A PHE 19.A N LEU 15.A O no hydrogen 2.971 N/A PHE 19.A N VAL 16.A O no hydrogen 2.869 N/A LEU 20.A N VAL 16.A O no hydrogen 2.937 N/A ALA 21.A N LEU 17.A O no hydrogen 3.187 N/A LEU 22.A N GLY 18.A O no hydrogen 3.304 N/A ILE 23.A N PHE 19.A O no hydrogen 3.154 N/A VAL 24.A N LEU 20.A O no hydrogen 3.027 N/A GLY 25.A N ALA 21.A O no hydrogen 2.985 N/A SER 26.A N LEU 22.A O no hydrogen 3.038 N/A SER 26.A OG LEU 22.A O no hydrogen 3.031 N/A SER 26.A OG ASN 66.A OD1 no hydrogen 3.500 N/A LEU 27.A N ILE 23.A O no hydrogen 3.196 N/A PHE 28.A N GLY 25.A O no hydrogen 3.300 N/A GLY 29.A N SER 26.A O no hydrogen 2.759 N/A GLN 32.A N PHE 28.A O no hydrogen 3.055 N/A GLN 32.A N GLY 29.A O no hydrogen 2.826 N/A ALA 33.A N GLY 29.A O no hydrogen 2.876 N/A LEU 34.A N PRO 30.A O no hydrogen 2.909 N/A ASN 35.A N PHE 31.A O no hydrogen 2.929 N/A ASN 35.A ND2 ALA 441.A O no hydrogen 3.106 N/A TYR 36.A N GLN 32.A O no hydrogen 2.938 N/A TYR 36.A OH PRO 438.A O no hydrogen 3.030 N/A GLY 37.A N LEU 34.A O no hydrogen 2.684 N/A ASN 38.A N ASN 35.A O no hydrogen 3.172 N/A VAL 39.A N LEU 34.A O no hydrogen 2.974 N/A TYR 42.A N ASP 40.A OD2 no hydrogen 3.089 N/A LEU 44.A N ALA 41.A O no hydrogen 3.150 N/A LEU 45.A N ALA 41.A O no hydrogen 3.232 N/A LYS 46.A N TYR 42.A O no hydrogen 2.701 N/A ARG 47.A N PRO 43.A O no hydrogen 3.079 N/A LEU 48.A N LEU 44.A O no hydrogen 3.049 N/A LEU 49.A N LEU 45.A O no hydrogen 2.566 N/A VAL 52.A N LEU 49.A O no hydrogen 3.314 N/A GLN 53.A N GLN 57.A OE1 no hydrogen 2.523 N/A GLN 53.A NE2 PHE 51.A O no hydrogen 2.996 N/A GLN 57.A N SER 54.A OG no hydrogen 2.894 N/A GLN 57.A NE2 LEU 114.A O no hydrogen 2.972 N/A GLN 57.A NE2 LEU 115.A O no hydrogen 3.184 N/A GLY 58.A N SER 54.A O no hydrogen 3.248 N/A LEU 59.A N TYR 55.A O no hydrogen 2.974 N/A THR 60.A N TYR 56.A O no hydrogen 3.019 N/A THR 60.A OG1 TYR 56.A O no hydrogen 3.048 N/A LEU 61.A N GLN 57.A O no hydrogen 3.122 N/A HIS 62.A N GLY 58.A O no hydrogen 2.802 N/A HIS 62.A ND1 GLY 25.A O no hydrogen 2.972 N/A GLY 63.A N LEU 59.A O no hydrogen 2.958 N/A VAL 64.A N THR 60.A O no hydrogen 2.867 N/A LEU 65.A N LEU 61.A O no hydrogen 3.141 N/A ASN 66.A N HIS 62.A O no hydrogen 3.358 N/A ASN 66.A ND2 LEU 22.A O no hydrogen 3.252 N/A ALA 67.A N GLY 63.A O no hydrogen 2.753 N/A ILE 68.A N VAL 64.A O no hydrogen 3.052 N/A VAL 69.A N VAL 64.A O no hydrogen 2.815 N/A PHE 70.A N LEU 65.A O no hydrogen 2.763 N/A THR 71.A N ASN 66.A O no hydrogen 3.411 N/A THR 71.A OG1 ALA 67.A O no hydrogen 2.579 N/A GLN 72.A N ILE 68.A O no hydrogen 3.331 N/A GLN 72.A NE2 GLN 76.A OE1 no hydrogen 2.960 N/A GLN 72.A NE2 PHE 142.A O no hydrogen 3.056 N/A LEU 73.A N VAL 69.A O no hydrogen 3.137 N/A PHE 74.A N PHE 70.A O no hydrogen 2.997 N/A ALA 75.A N THR 71.A O no hydrogen 3.095 N/A GLN 76.A N GLN 72.A O no hydrogen 2.843 N/A GLN 76.A NE2 SER 145.A OG no hydrogen 3.274 N/A GLN 76.A NE2 SER 149.A OG no hydrogen 3.282 N/A ILE 78.A N PHE 74.A O no hydrogen 3.044 N/A MET 79.A N ALA 75.A O no hydrogen 2.674 N/A TYR 81.A N ALA 77.A O no hydrogen 2.891 N/A TYR 81.A OH ASN 397.A OD1 no hydrogen 2.769 N/A LEU 82.A N ILE 78.A O no hydrogen 2.922 N/A ALA 84.A N VAL 80.A O no hydrogen 3.071 N/A ARG 85.A N TYR 81.A O no hydrogen 3.031 N/A ARG 85.A NH1 ASN 88.A OD1 no hydrogen 2.993 N/A GLU 86.A N LEU 82.A O no hydrogen 3.218 N/A LEU 87.A N PRO 83.A O no hydrogen 2.936 N/A ASN 88.A N ARG 85.A O no hydrogen 3.353 N/A MET 89.A N ALA 84.A O no hydrogen 2.921 N/A ARG 90.A NH1 ALA 4.A O no hydrogen 2.471 N/A LEU 95.A N ASN 92.A OD1 no hydrogen 3.383 N/A MET 96.A N ASN 92.A O no hydrogen 2.830 N/A TRP 97.A N MET 93.A O no hydrogen 2.991 N/A LEU 98.A N GLY 94.A O no hydrogen 3.254 N/A SER 99.A N LEU 95.A O no hydrogen 3.042 N/A SER 99.A OG MET 96.A O no hydrogen 2.663 N/A TRP 100.A N MET 96.A O no hydrogen 3.125 N/A TRP 100.A NE1 TYR 13.A O no hydrogen 3.032 N/A TRP 101.A N TRP 97.A O no hydrogen 2.991 N/A MET 102.A N LEU 98.A O no hydrogen 3.010 N/A ALA 103.A N SER 99.A O no hydrogen 3.108 N/A PHE 104.A N TRP 100.A O no hydrogen 2.891 N/A ILE 105.A N TRP 101.A O no hydrogen 2.651 N/A GLY 106.A N MET 102.A O no hydrogen 2.672 N/A LEU 107.A N ALA 103.A O no hydrogen 3.105 N/A VAL 108.A N PHE 104.A O no hydrogen 3.040 N/A VAL 109.A N ILE 105.A O no hydrogen 2.953 N/A ALA 110.A N GLY 106.A O no hydrogen 3.084 N/A ALA 111.A N LEU 107.A O no hydrogen 2.876 N/A LEU 112.A N VAL 108.A O no hydrogen 3.143 N/A LEU 114.A N ALA 110.A O no hydrogen 3.231 N/A LEU 115.A N ALA 111.A O no hydrogen 2.825 N/A ASN 117.A N LEU 114.A O no hydrogen 3.070 N/A GLU 118.A N PRO 113.A O no hydrogen 2.848 N/A THR 120.A OG1 ASN 117.A OD1 no hydrogen 2.703 N/A LEU 122.A N THR 60.A OG1 no hydrogen 2.974 N/A PHE 125.A N LEU 122.A O no hydrogen 3.053 N/A LEU 129.A N TYR 126.A O no hydrogen 3.182 N/A LYS 130.A N TRP 549.A O no hydrogen 2.819 N/A GLY 131.A N TYR 136.A OH no hydrogen 3.290 N/A HIS 132.A N GLU 118.A O no hydrogen 3.250 N/A ALA 134.A N HIS 132.A ND1 no hydrogen 2.896 N/A PHE 135.A N HIS 132.A O no hydrogen 2.784 N/A LEU 137.A N TRP 133.A O no hydrogen 2.934 N/A GLY 138.A N ALA 134.A O no hydrogen 3.044 N/A ALA 139.A N PHE 135.A O no hydrogen 2.972 N/A SER 140.A N TYR 136.A O no hydrogen 3.009 N/A SER 140.A OG TYR 136.A O no hydrogen 3.108 N/A VAL 141.A N LEU 137.A O no hydrogen 3.167 N/A PHE 142.A N GLY 138.A O no hydrogen 2.925 N/A VAL 143.A N ALA 139.A O no hydrogen 2.748 N/A LEU 144.A N SER 140.A O no hydrogen 2.759 N/A SER 145.A OG SER 99.A O no hydrogen 2.447 N/A THR 146.A N VAL 143.A O no hydrogen 3.125 N/A THR 146.A OG1 VAL 143.A O no hydrogen 2.585 N/A TRP 147.A N LEU 144.A O no hydrogen 2.938 N/A TRP 147.A NE1 SER 187.A OG no hydrogen 2.971 N/A VAL 148.A N SER 145.A O no hydrogen 3.160 N/A SER 149.A N SER 145.A O no hydrogen 3.330 N/A ILE 150.A N THR 146.A O no hydrogen 2.747 N/A TYR 151.A N TRP 147.A O no hydrogen 3.373 N/A ILE 152.A N VAL 148.A O no hydrogen 2.876 N/A VAL 153.A N SER 149.A O no hydrogen 3.127 N/A LEU 154.A N ILE 150.A O no hydrogen 2.989 N/A ASP 155.A N TYR 151.A O no hydrogen 2.805 N/A LEU 156.A N ILE 152.A O no hydrogen 3.084 N/A TRP 157.A N VAL 153.A O no hydrogen 2.897 N/A TRP 157.A NE1 THR 169.A OG1 no hydrogen 3.158 N/A ARG 158.A N LEU 154.A O no hydrogen 2.766 N/A ARG 159.A N ASP 155.A O no hydrogen 2.982 N/A ARG 159.A NH1 ARG 90.A O no hydrogen 2.869 N/A ARG 159.A NH2 ARG 90.A O no hydrogen 3.089 N/A ARG 159.A NH2 ASP 155.A OD1 no hydrogen 2.956 N/A TRP 160.A N LEU 156.A O no hydrogen 3.070 N/A TRP 160.A N TRP 157.A O no hydrogen 3.247 N/A LYS 161.A N TRP 157.A O no hydrogen 3.010 N/A LYS 161.A NZ ASP 515.A OD1 no hydrogen 3.348 N/A ALA 162.A N ARG 158.A O no hydrogen 3.020 N/A ASN 164.A N TRP 160.A O no hydrogen 3.140 N/A ASN 164.A ND2 TRP 160.A O no hydrogen 2.755 N/A LYS 167.A N ASN 164.A O no hydrogen 3.345 N/A THR 169.A N ASP 515.A OD1 no hydrogen 2.843 N/A THR 169.A OG1 ASP 515.A OD1 no hydrogen 2.948 N/A THR 169.A OG1 ASP 515.A OD2 no hydrogen 2.597 N/A VAL 172.A N GLU 86.A OE1 no hydrogen 3.390 N/A THR 173.A N GLU 86.A OE2 no hydrogen 2.928 N/A THR 173.A OG1 GLU 86.A OE2 no hydrogen 3.336 N/A TYR 174.A N PRO 170.A O no hydrogen 2.897 N/A TYR 174.A OH MET 514.A O no hydrogen 2.977 N/A MET 175.A N LEU 171.A O no hydrogen 2.951 N/A ALA 176.A N VAL 172.A O no hydrogen 2.786 N/A VAL 177.A N THR 173.A O no hydrogen 2.768 N/A VAL 178.A N TYR 174.A O no hydrogen 3.115 N/A PHE 179.A N MET 175.A O no hydrogen 2.901 N/A TRP 180.A N ALA 176.A O no hydrogen 2.876 N/A TRP 180.A NE1 MET 79.A O no hydrogen 2.728 N/A LEU 181.A N VAL 177.A O no hydrogen 2.961 N/A MET 182.A N VAL 178.A O no hydrogen 2.973 N/A TRP 183.A N PHE 179.A O no hydrogen 2.957 N/A TRP 183.A NE1 THR 146.A OG1 no hydrogen 2.783 N/A PHE 184.A N TRP 180.A O no hydrogen 3.107 N/A LEU 185.A N LEU 181.A O no hydrogen 3.098 N/A ALA 186.A N MET 182.A O no hydrogen 2.996 N/A SER 187.A N TRP 183.A O no hydrogen 2.787 N/A SER 187.A OG TRP 183.A O no hydrogen 3.389 N/A SER 187.A OG PHE 184.A O no hydrogen 2.773 N/A LEU 188.A N LEU 185.A O no hydrogen 3.326 N/A LEU 190.A N THR 221.A OG1 no hydrogen 2.586 N/A VAL 191.A N SER 187.A O no hydrogen 3.051 N/A LEU 192.A N LEU 188.A O no hydrogen 3.185 N/A GLU 193.A N GLY 189.A O no hydrogen 2.973 N/A ALA 194.A N LEU 190.A O no hydrogen 2.877 N/A VAL 195.A N VAL 191.A O no hydrogen 2.674 N/A LEU 196.A N LEU 192.A O no hydrogen 2.674 N/A PHE 197.A N GLU 193.A O no hydrogen 2.937 N/A LEU 198.A N GLU 193.A O no hydrogen 3.016 N/A LEU 199.A N ALA 194.A O no hydrogen 2.883 N/A TRP 201.A N PHE 197.A O no hydrogen 3.021 N/A SER 202.A N LEU 198.A O no hydrogen 3.248 N/A SER 202.A OG LEU 198.A O no hydrogen 2.630 N/A SER 202.A OG LEU 199.A O no hydrogen 2.867 N/A PHE 203.A N LEU 199.A O no hydrogen 2.951 N/A GLY 204.A N TRP 201.A O no hydrogen 2.953 N/A LEU 205.A N PRO 200.A O no hydrogen 2.719 N/A VAL 206.A N PRO 200.A O no hydrogen 3.417 N/A VAL 209.A N VAL 546.A O no hydrogen 3.047 N/A VAL 213.A N ASP 210.A OD1 no hydrogen 3.123 N/A ALA 214.A N ASP 210.A O no hydrogen 3.164 N/A ARG 215.A N PRO 211.A O no hydrogen 2.928 N/A ARG 215.A NH2 ASP 277.A OD1 no hydrogen 2.628 N/A THR 216.A N LEU 212.A O no hydrogen 3.069 N/A THR 216.A OG1 LEU 212.A O no hydrogen 2.387 N/A LEU 217.A N VAL 213.A O no hydrogen 3.036 N/A PHE 218.A N ALA 214.A O no hydrogen 3.026 N/A TRP 219.A N ARG 215.A O no hydrogen 3.046 N/A TRP 220.A N THR 216.A O no hydrogen 2.995 N/A TRP 220.A NE1 LEU 185.A O no hydrogen 3.113 N/A THR 221.A OG1 ALA 186.A O no hydrogen 2.823 N/A GLY 222.A N PHE 218.A O no hydrogen 2.761 N/A HIS 223.A N TRP 219.A O no hydrogen 3.110 N/A ILE 225.A N THR 221.A O no hydrogen 2.835 N/A VAL 226.A N HIS 223.A O no hydrogen 2.939 N/A PHE 228.A N PRO 224.A O no hydrogen 2.858 N/A TRP 229.A N ILE 225.A O no hydrogen 3.007 N/A TRP 229.A N VAL 226.A O no hydrogen 3.000 N/A LEU 230.A N VAL 226.A O no hydrogen 2.871 N/A LEU 230.A N TYR 227.A O no hydrogen 2.716 N/A LEU 231.A N TYR 227.A O no hydrogen 2.775 N/A TYR 234.A N LEU 230.A O no hydrogen 2.858 N/A TYR 234.A OH SER 299.A OG no hydrogen 2.754 N/A ALA 235.A N LEU 231.A O no hydrogen 2.691 N/A ILE 236.A N PRO 232.A O no hydrogen 3.361 N/A ILE 237.A N ALA 233.A O no hydrogen 3.011 N/A TYR 238.A N TYR 234.A O no hydrogen 2.999 N/A TYR 238.A OH THR 302.A OG1 no hydrogen 2.974 N/A THR 239.A N ALA 235.A O no hydrogen 3.095 N/A THR 239.A OG1 ALA 235.A O no hydrogen 2.761 N/A ILE 240.A N ILE 236.A O no hydrogen 2.953 N/A LEU 241.A N ILE 236.A O no hydrogen 3.021 N/A GLN 244.A N ILE 240.A O no hydrogen 3.089 N/A ALA 245.A N LEU 241.A O no hydrogen 2.785 N/A GLY 246.A N LYS 243.A O no hydrogen 3.146 N/A GLY 247.A N PRO 242.A O no hydrogen 2.781 N/A LYS 248.A NZ GLU 500.A OE1 no hydrogen 3.183 N/A LYS 248.A NZ GLU 500.A OE2 no hydrogen 3.296 N/A LEU 249.A N GLU 500.A O no hydrogen 3.006 N/A MET 254.A N SER 251.A OG no hydrogen 3.328 N/A ARG 256.A N ASP 252.A O no hydrogen 3.096 N/A ARG 256.A NE ASP 252.A OD2 no hydrogen 2.617 N/A ARG 256.A NH1 THR 169.A O no hydrogen 2.918 N/A ARG 256.A NH2 THR 169.A O no hydrogen 2.638 N/A ARG 256.A NH2 ASP 252.A OD1 no hydrogen 3.497 N/A LEU 257.A N PRO 253.A O no hydrogen 2.913 N/A ALA 258.A N MET 254.A O no hydrogen 2.810 N/A PHE 259.A N ALA 255.A O no hydrogen 3.048 N/A LEU 260.A N ARG 256.A O no hydrogen 2.777 N/A LEU 261.A N LEU 257.A O no hydrogen 2.948 N/A PHE 262.A N ALA 258.A O no hydrogen 3.138 N/A LEU 263.A N PHE 259.A O no hydrogen 3.016 N/A LEU 264.A N LEU 260.A O no hydrogen 2.947 N/A LEU 265.A N LEU 261.A O no hydrogen 2.858 N/A SER 266.A N PHE 262.A O no hydrogen 2.910 N/A SER 266.A OG PHE 262.A O no hydrogen 2.873 N/A VAL 269.A N THR 267.A O no hydrogen 2.903 N/A HIS 272.A N VAL 269.A O no hydrogen 2.993 N/A HIS 272.A ND1 THR 292.A OG1 no hydrogen 2.744 N/A HIS 273.A N GLY 270.A O no hydrogen 2.999 N/A GLN 274.A N PHE 271.A O no hydrogen 2.876 N/A GLN 274.A NE2 THR 216.A OG1 no hydrogen 3.395 N/A GLN 274.A NE2 ASP 277.A OD1 no hydrogen 3.080 N/A ASP 277.A N GLN 274.A O no hydrogen 2.937 N/A THR 283.A OG1 ASP 281.A OD2 no hydrogen 3.336 N/A LYS 285.A N ASP 281.A O no hydrogen 3.207 N/A LYS 285.A NZ GLN 274.A O no hydrogen 2.614 N/A LYS 285.A NZ PHE 275.A O no hydrogen 2.683 N/A LYS 285.A NZ ASP 277.A O no hydrogen 2.879 N/A MET 286.A N PRO 282.A O no hydrogen 3.192 N/A MET 286.A N THR 283.A O no hydrogen 2.879 N/A ILE 287.A N THR 283.A O no hydrogen 2.878 N/A HIS 288.A N TRP 284.A O no hydrogen 3.119 N/A SER 289.A N LYS 285.A O no hydrogen 3.061 N/A SER 289.A OG ALA 357.A O no hydrogen 3.253 N/A VAL 290.A N MET 286.A O no hydrogen 3.104 N/A LEU 291.A N ILE 287.A O no hydrogen 3.055 N/A THR 292.A N HIS 288.A O no hydrogen 3.111 N/A THR 292.A OG1 HIS 272.A ND1 no hydrogen 2.744 N/A THR 292.A OG1 HIS 288.A O no hydrogen 2.602 N/A LEU 293.A N SER 289.A O no hydrogen 2.871 N/A PHE 294.A N VAL 290.A O no hydrogen 2.835 N/A VAL 295.A N LEU 291.A O no hydrogen 2.818 N/A ALA 296.A N THR 292.A O no hydrogen 3.223 N/A ALA 296.A N LEU 293.A O no hydrogen 3.076 N/A VAL 297.A N PHE 294.A O no hydrogen 2.835 N/A SER 299.A OG TYR 234.A OH no hydrogen 2.754 N/A LEU 300.A N ALA 296.A O no hydrogen 3.085 N/A MET 301.A N VAL 297.A O no hydrogen 2.910 N/A THR 302.A N PRO 298.A O no hydrogen 2.892 N/A THR 302.A OG1 TYR 238.A OH no hydrogen 2.974 N/A THR 302.A OG1 PRO 298.A O no hydrogen 2.830 N/A ALA 303.A N SER 299.A O no hydrogen 2.959 N/A PHE 304.A N LEU 300.A O no hydrogen 3.424 N/A THR 305.A N MET 301.A O no hydrogen 2.917 N/A THR 305.A OG1 MET 301.A O no hydrogen 3.031 N/A VAL 306.A N THR 302.A O no hydrogen 2.796 N/A ALA 307.A N ALA 303.A O no hydrogen 2.979 N/A ALA 308.A N PHE 304.A O no hydrogen 2.875 N/A SER 309.A N THR 305.A O no hydrogen 3.176 N/A SER 309.A OG THR 305.A O no hydrogen 2.644 N/A LEU 310.A N VAL 306.A O no hydrogen 3.171 N/A GLU 311.A N ALA 307.A O no hydrogen 3.062 N/A PHE 312.A N ALA 308.A O no hydrogen 2.759 N/A ALA 313.A N SER 309.A O no hydrogen 2.997 N/A GLY 314.A N LEU 310.A O no hydrogen 2.855 N/A ARG 315.A N GLU 311.A O no hydrogen 2.736 N/A LEU 316.A N PHE 312.A O no hydrogen 2.995 N/A ARG 317.A N ALA 313.A O no hydrogen 3.067 N/A ARG 317.A NE ALA 328.A O no hydrogen 3.049 N/A ARG 317.A NH1 ALA 328.A O no hydrogen 3.423 N/A GLY 318.A N ARG 315.A O no hydrogen 2.946 N/A GLY 319.A N ARG 315.A O no hydrogen 3.245 N/A TRP 325.A NE1 LEU 322.A O no hydrogen 2.673 N/A ILE 326.A N PHE 323.A O no hydrogen 3.087 N/A ALA 328.A N GLY 324.A O no hydrogen 3.277 N/A TRP 331.A N LEU 329.A O no hydrogen 2.952 N/A TRP 331.A NE1 ILE 326.A O no hydrogen 2.818 N/A ASP 332.A N ASP 332.A OD1 no hydrogen 2.402 N/A ASN 333.A N PRO 330.A O no hydrogen 3.120 N/A ALA 335.A N ASN 333.A OD1 no hydrogen 3.381 N/A PHE 336.A N ASN 333.A O no hydrogen 2.926 N/A VAL 337.A N ASN 333.A O no hydrogen 2.871 N/A ALA 338.A N PRO 334.A O no hydrogen 2.889 N/A VAL 340.A N PHE 336.A O no hydrogen 3.366 N/A LEU 341.A N VAL 337.A O no hydrogen 3.040 N/A GLY 342.A N ALA 338.A O no hydrogen 3.175 N/A LEU 343.A N PRO 339.A O no hydrogen 3.051 N/A LEU 344.A N VAL 340.A O no hydrogen 3.008 N/A GLY 345.A N LEU 341.A O no hydrogen 3.108 N/A PHE 346.A N GLY 342.A O no hydrogen 3.102 N/A ILE 347.A N LEU 344.A O no hydrogen 3.092 N/A GLY 349.A N GLY 345.A O no hydrogen 3.068 N/A GLY 350.A N PHE 346.A O no hydrogen 2.849 N/A ALA 351.A N ILE 347.A O no hydrogen 3.198 N/A GLY 352.A N PRO 348.A O no hydrogen 3.065 N/A GLY 353.A N GLY 349.A O no hydrogen 3.037 N/A ILE 354.A N GLY 350.A O no hydrogen 2.930 N/A VAL 355.A N ALA 351.A O no hydrogen 3.244 N/A ASN 356.A N GLY 352.A O no hydrogen 3.099 N/A ALA 357.A N GLY 353.A O no hydrogen 2.876 N/A SER 358.A N VAL 355.A O no hydrogen 2.904 N/A SER 358.A OG ILE 354.A O no hydrogen 2.775 N/A SER 358.A OG VAL 355.A O no hydrogen 3.530 N/A THR 360.A OG1 SER 358.A O no hydrogen 3.558 N/A LEU 361.A N SER 358.A O no hydrogen 3.372 N/A ASP 362.A N PHE 359.A O no hydrogen 2.932 N/A TYR 363.A OH PHE 275.A O no hydrogen 2.450 N/A VAL 364.A N LEU 361.A O no hydrogen 3.303 N/A VAL 365.A N ASP 362.A O no hydrogen 3.108 N/A HIS 366.A N ASP 362.A O no hydrogen 2.700 N/A THR 368.A N VAL 365.A O no hydrogen 2.943 N/A THR 368.A OG1 VAL 365.A O no hydrogen 2.715 N/A ALA 369.A N VAL 437.A O no hydrogen 2.889 N/A TRP 370.A N THR 368.A OG1 no hydrogen 3.311 N/A TRP 370.A NE1 ASN 356.A OD1 no hydrogen 2.822 N/A VAL 371.A N THR 368.A O no hydrogen 3.108 N/A GLY 373.A N ALA 369.A O no hydrogen 3.226 N/A HIS 374.A N TRP 370.A O no hydrogen 2.843 N/A HIS 374.A ND1 GLY 349.A O no hydrogen 3.038 N/A PHE 375.A N VAL 371.A O no hydrogen 3.075 N/A HIS 376.A N PRO 372.A O no hydrogen 3.144 N/A HIS 376.A ND1 PRO 372.A O no hydrogen 2.710 N/A LEU 377.A N HIS 374.A O no hydrogen 3.070 N/A GLN 378.A N PHE 375.A O no hydrogen 3.201 N/A VAL 379.A N PHE 375.A O no hydrogen 2.818 N/A VAL 383.A N GLN 378.A O no hydrogen 3.187 N/A THR 384.A N VAL 379.A O no hydrogen 3.050 N/A THR 384.A OG1 VAL 379.A O no hydrogen 3.006 N/A LEU 385.A N SER 381.A O no hydrogen 2.919 N/A THR 386.A N LEU 382.A O no hydrogen 3.024 N/A THR 386.A OG1 LEU 382.A O no hydrogen 2.972 N/A ALA 387.A N VAL 383.A O no hydrogen 2.911 N/A MET 388.A N THR 384.A O no hydrogen 2.688 N/A GLY 389.A N LEU 385.A O no hydrogen 2.716 N/A SER 390.A N THR 386.A O no hydrogen 2.976 N/A SER 390.A OG THR 386.A O no hydrogen 2.355 N/A LEU 391.A N MET 388.A O no hydrogen 3.111 N/A TYR 392.A N GLY 389.A O no hydrogen 2.877 N/A TYR 392.A OH GLN 407.A O no hydrogen 3.099 N/A TRP 393.A N SER 390.A O no hydrogen 3.315 N/A LEU 394.A N SER 390.A O no hydrogen 2.819 N/A LEU 395.A N LEU 391.A O no hydrogen 2.916 N/A ASN 397.A N TRP 393.A O no hydrogen 3.330 N/A LEU 398.A N LEU 394.A O no hydrogen 3.106 N/A LEU 398.A N LEU 395.A O no hydrogen 3.091 N/A THR 399.A N LEU 395.A O no hydrogen 2.830 N/A THR 399.A OG1 LEU 395.A O no hydrogen 2.806 N/A GLY 400.A N PRO 396.A O no hydrogen 2.675 N/A LYS 401.A N THR 399.A OG1 no hydrogen 3.037 N/A LYS 401.A NZ LEU 482.A O no hydrogen 3.419 N/A SER 404.A N GLN 407.A OE1 no hydrogen 2.545 N/A SER 404.A OG GLN 407.A OE1 no hydrogen 2.937 N/A GLN 407.A NE2 SER 480.A O no hydrogen 3.515 N/A ARG 408.A N SER 404.A O no hydrogen 2.977 N/A ARG 408.A NE ASP 405.A OD2 no hydrogen 3.386 N/A ARG 408.A NH1 ASP 405.A OD2 no hydrogen 3.175 N/A ARG 408.A NH2 ASP 332.A O no hydrogen 2.720 N/A ARG 409.A N ASP 405.A O no hydrogen 2.904 N/A LEU 410.A N ALA 406.A O no hydrogen 2.708 N/A GLY 411.A N GLN 407.A O no hydrogen 2.993 N/A LEU 412.A N ARG 408.A O no hydrogen 3.217 N/A ALA 413.A N ARG 409.A O no hydrogen 3.086 N/A VAL 414.A N LEU 410.A O no hydrogen 3.032 N/A VAL 415.A N GLY 411.A O no hydrogen 2.767 N/A TRP 416.A N LEU 412.A O no hydrogen 3.096 N/A LEU 417.A N ALA 413.A O no hydrogen 2.837 N/A TRP 418.A N VAL 414.A O no hydrogen 2.846 N/A TRP 418.A NE1 ALA 380.A O no hydrogen 2.932 N/A PHE 419.A N VAL 415.A O no hydrogen 3.065 N/A LEU 420.A N TRP 416.A O no hydrogen 2.815 N/A GLY 421.A N LEU 417.A O no hydrogen 2.800 N/A MET 422.A N TRP 418.A O no hydrogen 3.047 N/A MET 423.A N PHE 419.A O no hydrogen 2.984 N/A ILE 424.A N LEU 420.A O no hydrogen 2.804 N/A MET 425.A N GLY 421.A O no hydrogen 2.728 N/A ALA 426.A N MET 422.A O no hydrogen 2.815 N/A VAL 427.A N MET 423.A O no hydrogen 3.168 N/A GLY 428.A N ILE 424.A O no hydrogen 3.165 N/A LEU 429.A N MET 425.A O no hydrogen 2.756 N/A HIS 430.A N ALA 426.A O no hydrogen 3.132 N/A HIS 430.A ND1 ALA 426.A O no hydrogen 2.586 N/A TRP 431.A N VAL 427.A O no hydrogen 3.146 N/A ALA 432.A N GLY 428.A O no hydrogen 2.971 N/A GLY 433.A N LEU 429.A O no hydrogen 2.931 N/A LEU 434.A N HIS 430.A O no hydrogen 2.978 N/A LEU 435.A N TRP 431.A O no hydrogen 3.117 N/A ASN 436.A N GLY 433.A O no hydrogen 2.811 N/A VAL 437.A N ALA 432.A O no hydrogen 2.918 N/A ARG 439.A N ASN 367.A O no hydrogen 2.892 N/A ARG 440.A NH1 THR 124.A OG1 no hydrogen 3.211 N/A ARG 440.A NH2 THR 124.A OG1 no hydrogen 3.403 N/A ALA 441.A N TYR 36.A OH no hydrogen 3.195 N/A TYR 442.A N TYR 56.A OH no hydrogen 2.833 N/A TYR 442.A OH ASP 40.A OD2 no hydrogen 2.751 N/A ALA 444.A N ASN 35.A OD1 no hydrogen 3.005 N/A GLN 445.A N TYR 442.A O no hydrogen 3.479 N/A VAL 446.A N ILE 443.A O no hydrogen 3.326 N/A ALA 449.A N VAL 446.A O no hydrogen 2.855 N/A ALA 454.A N PRO 451.A O no hydrogen 3.150 N/A MET 457.A N ALA 453.A O no hydrogen 3.145 N/A MET 457.A N ALA 454.A O no hydrogen 3.273 N/A VAL 458.A N VAL 455.A O no hydrogen 3.266 N/A ASN 460.A N PRO 456.A O no hydrogen 3.261 N/A ASN 460.A ND2 TYR 36.A O no hydrogen 2.824 N/A VAL 461.A N MET 457.A O no hydrogen 3.242 N/A VAL 461.A N VAL 458.A O no hydrogen 2.837 N/A LEU 462.A N VAL 458.A O no hydrogen 2.854 N/A ALA 463.A N PHE 459.A O no hydrogen 2.817 N/A GLY 464.A N ASN 460.A O no hydrogen 3.294 N/A ILE 465.A N VAL 461.A O no hydrogen 3.253 N/A ILE 465.A N LEU 462.A O no hydrogen 3.256 N/A VAL 466.A N LEU 462.A O no hydrogen 3.063 N/A LEU 467.A N ALA 463.A O no hydrogen 2.623 N/A LEU 468.A N GLY 464.A O no hydrogen 3.000 N/A VAL 469.A N ILE 465.A O no hydrogen 3.074 N/A ALA 470.A N VAL 466.A O no hydrogen 2.959 N/A LEU 471.A N LEU 467.A O no hydrogen 3.090 N/A LEU 472.A N LEU 468.A O no hydrogen 2.973 N/A LEU 473.A N VAL 469.A O no hydrogen 2.949 N/A PHE 474.A N ALA 470.A O no hydrogen 2.805 N/A ILE 475.A N LEU 471.A O no hydrogen 2.977 N/A TYR 476.A N LEU 472.A O no hydrogen 2.938 N/A GLY 477.A N LEU 473.A O no hydrogen 2.902 N/A LEU 478.A N PHE 474.A O no hydrogen 2.733 N/A PHE 479.A N ILE 475.A O no hydrogen 3.096 N/A SER 480.A N TYR 476.A O no hydrogen 3.039 N/A SER 480.A OG GLY 477.A O no hydrogen 2.704 N/A VAL 481.A N GLY 477.A O no hydrogen 2.910 N/A VAL 481.A N LEU 478.A O no hydrogen 3.277 N/A LEU 482.A N LEU 478.A O no hydrogen 3.123 N/A LEU 483.A N PHE 479.A O no hydrogen 2.824 N/A SER 484.A OG VAL 481.A O no hydrogen 3.389 N/A LYS 488.A N GLY 400.A O no hydrogen 2.681 N/A GLU 490.A N GLU 490.A OE1 no hydrogen 3.174 N/A ALA 492.A N PRO 489.A O no hydrogen 3.014 N/A GLU 493.A N PRO 489.A O no hydrogen 3.119 N/A ALA 499.A N THR 239.A O no hydrogen 2.670 N/A ILE 502.A N LEU 249.A O no hydrogen 2.862 N/A SER 503.A OG ASP 507.A OD1 no hydrogen 3.522 N/A GLY 504.A N ASP 507.A OD1 no hydrogen 2.713 N/A GLY 504.A N ASP 507.A OD2 no hydrogen 3.248 N/A VAL 511.A N ASP 507.A O no hydrogen 2.784 N/A LEU 512.A N ARG 508.A O no hydrogen 2.946 N/A ALA 513.A N ARG 509.A O no hydrogen 3.340 N/A MET 514.A N LEU 510.A O no hydrogen 3.184 N/A ASP 515.A N VAL 511.A O no hydrogen 2.864 N/A ASP 515.A N LEU 512.A O no hydrogen 3.069 N/A ARG 516.A N ALA 513.A O no hydrogen 3.084 N/A TRP 520.A N ARG 516.A O no hydrogen 3.125 N/A TRP 520.A NE1 ALA 513.A O no hydrogen 3.149 N/A PHE 521.A N ILE 517.A O no hydrogen 2.756 N/A ALA 522.A N GLY 518.A O no hydrogen 3.294 N/A VAL 523.A N PHE 519.A O no hydrogen 3.000 N/A ALA 524.A N TRP 520.A O no hydrogen 2.898 N/A ALA 525.A N PHE 521.A O no hydrogen 3.087 N/A ILE 526.A N ALA 522.A O no hydrogen 3.003 N/A LEU 527.A N VAL 523.A O no hydrogen 3.173 N/A VAL 528.A N ALA 524.A O no hydrogen 3.227 N/A VAL 529.A N ALA 525.A O no hydrogen 3.347 N/A LEU 530.A N ILE 526.A O no hydrogen 2.888 N/A ALA 531.A N LEU 527.A O no hydrogen 3.005 N/A TYR 532.A N VAL 528.A O no hydrogen 3.121 N/A GLY 533.A N VAL 529.A O no hydrogen 2.779 N/A LEU 536.A N TYR 532.A O no hydrogen 2.917 N/A VAL 537.A N GLY 533.A O no hydrogen 2.987 N/A GLN 538.A N THR 535.A O no hydrogen 2.728 N/A LEU 539.A N THR 535.A O no hydrogen 2.946 N/A LEU 539.A N LEU 536.A O no hydrogen 3.230 N/A PHE 540.A N LEU 536.A O no hydrogen 2.882 N/A GLY 541.A N VAL 537.A O no hydrogen 3.334 N/A HIS 542.A N LEU 539.A O no hydrogen 2.831 N/A HIS 542.A ND1 GLN 538.A O no hydrogen 3.147 N/A ASN 544.A N ASP 210.A OD2 no hydrogen 2.838 N/A VAL 546.A N VAL 209.A O no hydrogen 3.292 N/A TRP 549.A N PRO 128.A O no hydrogen 2.924 N/A ARG 550.A NH1 ASN 117.A O no hydrogen 3.426 N/A ARG 550.A NH2 ASN 117.A O no hydrogen 3.161 N/A TRP 552.A NE1 ASN 117.A O no hydrogen 2.813 N/A