Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gaa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N ASP 2.A OD1 no hydrogen 2.981 N/A SER 4.A OG ASP 2.A OD1 no hydrogen 3.187 N/A SER 5.A N ASP 2.A O no hydrogen 3.396 N/A SER 5.A OG ASP 51.A OD1 no hydrogen 3.466 N/A SER 5.A OG ASP 51.A OD2 no hydrogen 2.601 N/A PHE 6.A N ASP 51.A OD1 no hydrogen 2.675 N/A ALA 7.A N SER 5.A OG no hydrogen 3.031 N/A LYS 11.A N SER 8.A O no hydrogen 3.254 N/A PHE 12.A N SER 8.A O no hydrogen 3.336 N/A ASN 13.A N ARG 39.A O no hydrogen 3.005 N/A ILE 14.A N GLN 143.A OE1 no hydrogen 2.951 N/A LYS 15.A N THR 37.A O no hydrogen 2.933 N/A MET 17.A N THR 151.A O no hydrogen 3.012 N/A HIS 18.A N SER 35.A O no hydrogen 3.044 N/A LEU 19.A N TYR 153.A O no hydrogen 2.769 N/A LYS 20.A N SER 33.A O no hydrogen 3.188 N/A LEU 21.A N GLN 155.A O no hydrogen 2.882 N/A HIS 22.A N ALA 31.A O no hydrogen 2.870 N/A VAL 23.A N SER 157.A O no hydrogen 2.977 N/A ASP 24.A N ALA 29.A O no hydrogen 2.985 N/A SER 27.A N ASP 24.A OD1 no hydrogen 2.790 N/A SER 27.A OG ASP 24.A OD1 no hydrogen 3.385 N/A ARG 28.A NH2 ASN 115.A OD1 no hydrogen 2.765 N/A ALA 29.A N ASP 24.A O no hydrogen 3.047 N/A ILE 30.A N THR 104.A OG1 no hydrogen 2.885 N/A ALA 31.A N HIS 22.A O no hydrogen 3.008 N/A ALA 32.A N SER 102.A O no hydrogen 2.965 N/A SER 33.A N LYS 20.A O no hydrogen 3.003 N/A SER 33.A OG ASP 101.A OD1 no hydrogen 2.787 N/A THR 34.A N ILE 100.A O no hydrogen 2.828 N/A SER 35.A N HIS 18.A O no hydrogen 2.999 N/A LEU 36.A N VAL 98.A O no hydrogen 2.711 N/A THR 37.A N HIS 16.A O no hydrogen 2.988 N/A VAL 38.A N VAL 96.A O no hydrogen 2.833 N/A ARG 39.A N ASN 13.A O no hydrogen 2.827 N/A ARG 39.A NH1 GLU 95.A OE2 no hydrogen 2.852 N/A SER 40.A N GLN 94.A O no hydrogen 2.996 N/A LEU 41.A N LYS 11.A O no hydrogen 2.735 N/A GLN 42.A N LYS 11.A O no hydrogen 3.207 N/A SER 44.A OG ASP 43.A O no hydrogen 2.861 N/A LEU 48.A N ILE 84.A O no hydrogen 2.851 N/A LEU 50.A N LEU 82.A O no hydrogen 2.914 N/A ASP 51.A N CYS 142.A O no hydrogen 2.660 N/A THR 52.A N THR 80.A O no hydrogen 3.291 N/A THR 52.A OG1 THR 80.A O no hydrogen 2.648 N/A LYS 53.A N ARG 137.A O no hydrogen 3.164 N/A THR 56.A N VAL 103.A O no hydrogen 2.916 N/A LYS 58.A N ASP 101.A O no hydrogen 2.742 N/A LYS 59.A N ASP 101.A O no hydrogen 3.438 N/A LYS 59.A NZ ASP 101.A OD2 no hydrogen 3.281 N/A ALA 61.A N GLU 99.A O no hydrogen 2.779 N/A ALA 67.A N VAL 60.A O no hydrogen 2.787 N/A ALA 70.A N GLU 83.A O no hydrogen 2.783 N/A GLY 72.A N PRO 81.A O no hydrogen 2.810 N/A THR 74.A OG1 THR 80.A OG1 no hydrogen 2.960 N/A HIS 75.A N GLY 79.A O no hydrogen 2.865 N/A HIS 75.A NE2 GLU 367.A OE1 no hydrogen 2.987 N/A HIS 75.A NE2 GLU 367.A OE2 no hydrogen 3.118 N/A PHE 77.A N HIS 75.A ND1 no hydrogen 3.241 N/A LYS 78.A N HIS 75.A ND1 no hydrogen 3.400 N/A LYS 78.A NZ PRO 3.A O no hydrogen 2.845 N/A THR 80.A N THR 52.A O no hydrogen 2.697 N/A THR 80.A OG1 THR 74.A OG1 no hydrogen 2.960 N/A LEU 82.A N LEU 50.A O no hydrogen 3.029 N/A GLU 83.A N ALA 70.A O no hydrogen 2.786 N/A ILE 84.A N LEU 48.A O no hydrogen 2.792 N/A THR 85.A N THR 68.A O no hydrogen 2.825 N/A THR 85.A OG1 THR 68.A O no hydrogen 3.372 N/A LEU 86.A N ALA 46.A O no hydrogen 3.258 N/A THR 91.A N GLN 94.A OE1 no hydrogen 3.285 N/A VAL 96.A N VAL 38.A O no hydrogen 2.975 N/A VAL 98.A N LEU 36.A O no hydrogen 2.902 N/A GLU 99.A N ALA 61.A O no hydrogen 2.731 N/A ILE 100.A N THR 34.A O no hydrogen 2.711 N/A ASP 101.A N LYS 59.A O no hydrogen 2.889 N/A SER 102.A N ALA 32.A O no hydrogen 2.794 N/A SER 102.A OG ALA 32.A O no hydrogen 3.507 N/A VAL 103.A N THR 56.A O no hydrogen 2.942 N/A THR 104.A N ILE 30.A O no hydrogen 3.115 N/A SER 108.A N SER 105.A O no hydrogen 3.001 N/A SER 108.A OG SER 138.A O no hydrogen 2.899 N/A SER 109.A OG HIS 135.A ND1 no hydrogen 2.933 N/A SER 109.A OG SER 138.A OG no hydrogen 2.664 N/A LEU 111.A N SER 108.A O no hydrogen 3.195 N/A GLN 112.A N PHE 128.A O no hydrogen 3.131 N/A GLN 112.A NE2 SER 260.A OG no hydrogen 3.096 N/A LEU 114.A N TYR 126.A O no hydrogen 2.894 N/A ASN 115.A N GLN 118.A OE1 no hydrogen 3.185 N/A GLN 118.A N ASN 115.A O no hydrogen 2.915 N/A THR 119.A N ASN 115.A O no hydrogen 3.238 N/A THR 119.A OG1 LYS 116.A O no hydrogen 3.014 N/A THR 119.A OG1 HIS 124.A O no hydrogen 3.239 N/A ALA 120.A N GLU 219.A OE2 no hydrogen 3.373 N/A GLY 121.A N GLU 219.A OE1 no hydrogen 2.812 N/A LYS 122.A N THR 119.A OG1 no hydrogen 3.423 N/A LYS 122.A NZ GLU 117.A O no hydrogen 3.179 N/A LYS 122.A NZ THR 119.A O no hydrogen 2.956 N/A TYR 126.A N LEU 114.A O no hydrogen 2.945 N/A LEU 127.A N VAL 202.A O no hydrogen 2.794 N/A SER 129.A N LEU 200.A O no hydrogen 2.994 N/A SER 129.A OG LEU 200.A O no hydrogen 3.492 N/A GLN 130.A N ALA 110.A O no hydrogen 2.777 N/A GLN 130.A NE2 GLN 132.A O no hydrogen 3.068 N/A CYS 131.A SG ILE 198.A O no hydrogen 3.369 N/A HIS 135.A N CYS 131.A O no hydrogen 2.762 N/A HIS 135.A ND1 SER 109.A OG no hydrogen 2.933 N/A HIS 135.A NE2 ASP 371.A OD1 no hydrogen 3.165 N/A CYS 136.A SG SER 195.A O no hydrogen 3.348 N/A ARG 137.A NE ASP 144.A OD2 no hydrogen 2.839 N/A ARG 137.A NH1 SER 4.A O no hydrogen 2.921 N/A ARG 137.A NH1 LYS 78.A O no hydrogen 2.799 N/A ARG 137.A NH2 SER 4.A O no hydrogen 3.292 N/A ARG 137.A NH2 ASP 144.A O no hydrogen 2.821 N/A SER 138.A N HIS 135.A O no hydrogen 2.952 N/A SER 138.A OG SER 109.A OG no hydrogen 2.664 N/A ILE 139.A N CYS 136.A O no hydrogen 2.947 N/A ILE 140.A N CYS 136.A O no hydrogen 3.108 N/A CYS 142.A N ASP 51.A O no hydrogen 3.287 N/A CYS 142.A SG ILE 140.A O no hydrogen 3.499 N/A GLN 143.A NE2 PHE 12.A O no hydrogen 2.904 N/A ASP 144.A N ASP 51.A OD2 no hydrogen 3.064 N/A THR 145.A N GLN 143.A O no hydrogen 2.746 N/A THR 145.A OG1 ASP 2.A OD2 no hydrogen 2.719 N/A SER 147.A OG GLU 305.A OE2 no hydrogen 2.754 N/A VAL 148.A N THR 145.A O no hydrogen 3.087 N/A LYS 149.A NZ LEU 301.A O no hydrogen 2.827 N/A LYS 149.A NZ THR 303.A OG1 no hydrogen 2.723 N/A LYS 149.A NZ LYS 413.A O no hydrogen 3.056 N/A PHE 150.A N ILE 193.A O no hydrogen 2.801 N/A THR 151.A N LYS 15.A O no hydrogen 3.285 N/A TYR 152.A N GLN 189.A O no hydrogen 2.823 N/A TYR 152.A OH SER 167.A OG no hydrogen 3.106 N/A TYR 153.A N MET 17.A O no hydrogen 3.011 N/A TYR 153.A OH ASP 171.A OD2 no hydrogen 2.651 N/A SER 154.A N PHE 187.A O no hydrogen 2.996 N/A GLN 155.A N LEU 19.A O no hydrogen 2.764 N/A VAL 156.A N TYR 185.A O no hydrogen 2.752 N/A SER 157.A N LEU 21.A O no hydrogen 2.847 N/A SER 157.A OG GLU 176.A OE1 no hydrogen 2.908 N/A SER 157.A OG GLU 176.A OE2 no hydrogen 3.203 N/A VAL 158.A N LYS 183.A O no hydrogen 2.907 N/A LYS 160.A N ASN 181.A O no hydrogen 2.997 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.893 N/A LEU 162.A N PRO 159.A O no hydrogen 2.965 N/A MET 163.A N GLY 203.A O no hydrogen 3.064 N/A LEU 165.A N VAL 201.A O no hydrogen 2.782 N/A SER 167.A N ALA 199.A O no hydrogen 3.311 N/A SER 167.A OG TYR 152.A OH no hydrogen 3.106 N/A SER 167.A OG LEU 197.A O no hydrogen 2.734 N/A ALA 168.A N MET 166.A O no hydrogen 2.731 N/A LEU 169.A N LYS 188.A O no hydrogen 2.963 N/A ARG 170.A NH2 ASP 253.A OD2 no hydrogen 2.609 N/A ASP 171.A N ARG 186.A O no hydrogen 2.679 N/A LEU 174.A N ILE 184.A O no hydrogen 2.655 N/A GLN 177.A NE2 SER 175.A OG no hydrogen 3.353 N/A ASN 181.A N ASP 179.A OD1 no hydrogen 3.095 N/A ARG 182.A N ASP 179.A O no hydrogen 2.992 N/A ARG 182.A NH1 VAL 23.A O no hydrogen 2.840 N/A ARG 182.A NH2 VAL 23.A O no hydrogen 2.932 N/A LYS 183.A N VAL 158.A O no hydrogen 2.891 N/A LYS 183.A NZ LYS 160.A O no hydrogen 3.410 N/A LYS 183.A NZ TYR 185.A OH no hydrogen 2.716 N/A ILE 184.A N LEU 174.A O no hydrogen 2.903 N/A TYR 185.A N VAL 156.A O no hydrogen 2.923 N/A TYR 185.A OH LEU 162.A O no hydrogen 3.094 N/A ARG 186.A N GLY 172.A O no hydrogen 2.811 N/A PHE 187.A N SER 154.A O no hydrogen 2.962 N/A LYS 188.A N LEU 169.A O no hydrogen 2.928 N/A LYS 188.A NZ ARG 170.A O no hydrogen 3.023 N/A LYS 188.A NZ ASP 171.A OD1 no hydrogen 3.179 N/A GLN 189.A N TYR 152.A O no hydrogen 2.811 N/A GLN 189.A NE2 SER 167.A O no hydrogen 2.997 N/A VAL 191.A N GLN 189.A OE1 no hydrogen 3.149 N/A ILE 193.A N PHE 150.A O no hydrogen 2.816 N/A SER 195.A OG ASP 144.A OD1 no hydrogen 2.511 N/A LEU 197.A N PRO 194.A O no hydrogen 3.090 N/A ILE 198.A N SER 195.A O no hydrogen 3.223 N/A ALA 199.A N SER 167.A OG no hydrogen 3.051 N/A LEU 200.A N SER 129.A OG no hydrogen 2.970 N/A VAL 201.A N LEU 165.A O no hydrogen 2.980 N/A VAL 202.A N LEU 127.A O no hydrogen 2.859 N/A GLY 203.A N MET 163.A O no hydrogen 3.006 N/A GLU 206.A N THR 218.A O no hydrogen 2.842 N/A ARG 208.A N ILE 216.A O no hydrogen 3.253 N/A VAL 210.A N THR 214.A O no hydrogen 2.734 N/A ARG 213.A NE GLU 234.A OE1 no hydrogen 2.894 N/A ARG 213.A NH1 GLU 241.A OE2 no hydrogen 3.501 N/A ARG 213.A NH2 GLU 241.A OE1 no hydrogen 2.673 N/A THR 214.A N GLY 211.A O no hydrogen 3.235 N/A THR 214.A OG1 TYR 252.A O no hydrogen 2.894 N/A THR 215.A N ASP 253.A OD1 no hydrogen 3.110 N/A ILE 216.A N ARG 208.A O no hydrogen 2.933 N/A TRP 217.A N LEU 254.A O no hydrogen 2.778 N/A TRP 217.A NE1 ASP 253.A OD2 no hydrogen 2.826 N/A THR 218.A N GLU 206.A O no hydrogen 3.042 N/A THR 218.A OG1 ILE 256.A O no hydrogen 2.771 N/A GLU 219.A N THR 218.A OG1 no hydrogen 2.844 N/A LEU 222.A N GLU 219.A O no hydrogen 2.699 N/A LEU 223.A N LYS 220.A O no hydrogen 3.205 N/A SER 226.A N LEU 222.A O no hydrogen 3.222 N/A SER 226.A N LEU 223.A O no hydrogen 3.085 N/A SER 226.A OG LEU 222.A O no hydrogen 3.045 N/A VAL 227.A N LEU 223.A O no hydrogen 3.176 N/A GLU 229.A N PRO 225.A O no hydrogen 3.299 N/A PHE 230.A N SER 226.A O no hydrogen 3.014 N/A THR 233.A OG1 PHE 230.A O no hydrogen 2.602 N/A MET 236.A N GLU 232.A O no hydrogen 3.076 N/A LEU 237.A N THR 233.A O no hydrogen 2.904 N/A LYS 238.A N GLU 234.A O no hydrogen 2.755 N/A TYR 239.A N LYS 235.A O no hydrogen 2.964 N/A ALA 240.A N MET 236.A O no hydrogen 3.017 N/A GLU 241.A N LEU 237.A O no hydrogen 3.071 N/A ASP 242.A N LYS 238.A O no hydrogen 3.035 N/A LEU 243.A N ALA 240.A O no hydrogen 3.143 N/A ALA 244.A N ALA 240.A O no hydrogen 2.754 N/A GLY 245.A N GLU 241.A O no hydrogen 2.939 N/A TYR 247.A N GLU 241.A OE2 no hydrogen 3.140 N/A TYR 247.A OH GLN 251.A O no hydrogen 2.723 N/A TRP 249.A NE1 SER 296.A O no hydrogen 2.910 N/A GLN 251.A N TRP 249.A O no hydrogen 2.912 N/A GLN 251.A NE2 CYS 270.A O no hydrogen 2.897 N/A TYR 252.A N ARG 213.A O no hydrogen 2.715 N/A TYR 252.A OH THR 272.A OG1 no hydrogen 2.849 N/A ASP 253.A N CYS 270.A O no hydrogen 3.178 N/A LEU 254.A N THR 215.A O no hydrogen 3.169 N/A LEU 255.A N THR 272.A O no hydrogen 2.802 N/A ILE 256.A N TRP 217.A O no hydrogen 3.001 N/A LEU 257.A N VAL 274.A O no hydrogen 3.116 N/A PHE 261.A N PRO 258.A O no hydrogen 3.205 N/A MET 266.A N PHE 273.A O no hydrogen 2.867 N/A GLU 267.A N GLU 267.A OE1 no hydrogen 2.944 N/A CYS 270.A SG TRP 249.A O no hydrogen 3.449 N/A LEU 271.A N ASN 268.A O no hydrogen 3.055 N/A THR 272.A N ASP 253.A O no hydrogen 2.857 N/A THR 272.A OG1 TYR 252.A OH no hydrogen 2.849 N/A PHE 273.A N MET 266.A O no hydrogen 2.852 N/A VAL 274.A N LEU 255.A O no hydrogen 2.742 N/A THR 275.A N GLY 264.A O no hydrogen 2.987 N/A THR 275.A OG1 THR 277.A OG1 no hydrogen 3.183 N/A THR 277.A N THR 275.A OG1 no hydrogen 3.415 N/A THR 277.A OG1 THR 275.A OG1 no hydrogen 3.183 N/A LEU 279.A N PRO 276.A O no hydrogen 3.205 N/A ALA 280.A N VAL 278.A O no hydrogen 2.861 N/A GLY 281.A N GLU 229.A OE2 no hydrogen 3.050 N/A ARG 283.A NH1 TYR 228.A O no hydrogen 2.794 N/A SER 284.A N ASP 282.A OD1 no hydrogen 3.248 N/A SER 284.A OG ASP 282.A OD1 no hydrogen 2.824 N/A SER 284.A OG ASP 282.A OD2 no hydrogen 3.373 N/A ALA 286.A N ARG 283.A O no hydrogen 3.443 N/A ILE 289.A N ALA 286.A O no hydrogen 3.149 N/A HIS 291.A N SER 287.A O no hydrogen 2.897 N/A HIS 291.A ND1 GLU 321.A OE1 no hydrogen 3.182 N/A GLU 292.A N VAL 288.A O no hydrogen 3.023 N/A ILE 293.A N ILE 289.A O no hydrogen 2.753 N/A SER 294.A N ALA 290.A O no hydrogen 3.215 N/A SER 294.A OG ALA 290.A O no hydrogen 2.629 N/A HIS 295.A N HIS 291.A O no hydrogen 3.290 N/A HIS 295.A N GLU 292.A O no hydrogen 3.116 N/A HIS 295.A ND1 THR 298.A O no hydrogen 2.896 N/A HIS 295.A NE2 GLU 314.A OE2 no hydrogen 2.740 N/A SER 296.A N ILE 293.A O no hydrogen 2.993 N/A SER 296.A OG ILE 293.A O no hydrogen 2.876 N/A TRP 297.A N SER 294.A O no hydrogen 3.042 N/A TRP 297.A NE1 PRO 246.A O no hydrogen 3.158 N/A THR 298.A N SER 294.A O no hydrogen 3.274 N/A THR 298.A OG1 SER 294.A O no hydrogen 3.250 N/A THR 298.A OG1 THR 317.A OG1 no hydrogen 2.827 N/A GLY 299.A N VAL 302.A O no hydrogen 2.690 N/A ASN 300.A N HIS 295.A O no hydrogen 2.929 N/A ASN 300.A ND2 GLU 267.A O no hydrogen 2.911 N/A LEU 301.A N TRP 297.A O no hydrogen 3.262 N/A VAL 302.A N TRP 297.A O no hydrogen 2.891 N/A THR 303.A N LYS 413.A O no hydrogen 3.126 N/A THR 303.A OG1 GLY 299.A O no hydrogen 2.827 N/A ASN 304.A ND2 ASN 304.A O no hydrogen 2.640 N/A GLU 305.A N VAL 415.A O no hydrogen 2.820 N/A GLU 308.A N THR 306.A OG1 no hydrogen 3.315 N/A ASN 309.A N THR 306.A O no hydrogen 3.238 N/A ASN 309.A ND2 THR 306.A OG1 no hydrogen 3.136 N/A TRP 311.A NE1 THR 417.A OG1 no hydrogen 2.869 N/A LEU 312.A N ASN 309.A O no hydrogen 3.074 N/A GLU 314.A N PHE 310.A O no hydrogen 3.064 N/A GLY 315.A N TRP 311.A O no hydrogen 2.657 N/A THR 317.A N ASN 313.A O no hydrogen 3.331 N/A THR 317.A OG1 THR 298.A OG1 no hydrogen 2.827 N/A THR 317.A OG1 ASN 313.A O no hydrogen 2.640 N/A VAL 318.A N GLU 314.A O no hydrogen 2.903 N/A TYR 319.A N GLY 315.A O no hydrogen 3.070 N/A TYR 319.A OH GLU 390.A OE1 no hydrogen 2.669 N/A LEU 320.A N HIS 316.A O no hydrogen 2.895 N/A GLU 321.A N THR 317.A O no hydrogen 2.824 N/A ARG 322.A N VAL 318.A O no hydrogen 3.052 N/A ARG 322.A NH1 GLU 380.A OE1 no hydrogen 2.870 N/A ARG 322.A NH2 GLU 380.A OE1 no hydrogen 2.907 N/A ARG 322.A NH2 GLU 380.A OE2 no hydrogen 3.090 N/A ARG 323.A N TYR 319.A O no hydrogen 3.063 N/A ARG 323.A N LEU 320.A O no hydrogen 3.113 N/A ARG 323.A NH2 PRO 396.A O no hydrogen 3.546 N/A ILE 324.A N LEU 320.A O no hydrogen 3.060 N/A ASP 325.A N GLU 321.A O no hydrogen 3.021 N/A GLY 326.A N ARG 322.A O no hydrogen 3.101 N/A ARG 327.A N ARG 323.A O no hydrogen 3.189 N/A LEU 328.A N ILE 324.A O no hydrogen 3.110 N/A TYR 329.A N ASP 325.A O no hydrogen 2.988 N/A GLY 330.A N GLY 326.A O no hydrogen 3.162 N/A GLU 332.A N GLU 332.A OE2 no hydrogen 2.834 N/A PHE 333.A N GLY 330.A O no hydrogen 3.055 N/A ARG 334.A N GLY 330.A O no hydrogen 3.182 N/A ARG 334.A NH1 GLU 331.A OE1 no hydrogen 3.291 N/A ARG 334.A NH2 GLU 390.A OE1 no hydrogen 2.407 N/A GLN 335.A N GLU 331.A O no hydrogen 3.061 N/A GLN 335.A NE2 GLU 331.A OE2 no hydrogen 3.195 N/A PHE 336.A N GLU 332.A O no hydrogen 3.194 N/A LYS 337.A N PHE 333.A O no hydrogen 2.923 N/A ALA 338.A N ARG 334.A O no hydrogen 3.024 N/A LEU 339.A N GLN 335.A O no hydrogen 3.056 N/A GLY 340.A N PHE 336.A O no hydrogen 2.885 N/A GLY 341.A N LYS 337.A O no hydrogen 2.995 N/A TRP 342.A N ALA 338.A O no hydrogen 3.432 N/A LYS 343.A N LEU 339.A O no hydrogen 3.369 N/A LYS 343.A NZ GLN 346.A OE1 no hydrogen 3.194 N/A GLU 344.A N GLY 340.A O no hydrogen 3.088 N/A LEU 345.A N GLY 341.A O no hydrogen 2.878 N/A GLN 346.A N TRP 342.A O no hydrogen 2.864 N/A ASN 347.A N LYS 343.A O no hydrogen 2.744 N/A ASN 347.A ND2 GLU 344.A OE1 no hydrogen 2.871 N/A SER 348.A N GLU 344.A O no hydrogen 2.800 N/A SER 348.A N LEU 345.A O no hydrogen 3.163 N/A SER 348.A OG GLU 344.A O no hydrogen 3.020 N/A SER 348.A OG GLU 344.A OE1 no hydrogen 3.387 N/A VAL 349.A N LEU 345.A O no hydrogen 2.820 N/A ASN 350.A N GLN 346.A O no hydrogen 3.337 N/A THR 351.A OG1 ASN 347.A O no hydrogen 2.646 N/A THR 351.A OG1 ASN 350.A OD1 no hydrogen 3.088 N/A PHE 352.A N SER 348.A O no hydrogen 3.080 N/A GLY 353.A N VAL 349.A O no hydrogen 2.683 N/A ASN 356.A N GLY 353.A O no hydrogen 2.996 N/A ASN 356.A ND2 PHE 352.A O no hydrogen 2.743 N/A LEU 358.A N ASN 356.A OD1 no hydrogen 3.181 N/A THR 359.A N ASN 356.A O no hydrogen 2.845 N/A THR 359.A OG1 ASN 356.A O no hydrogen 2.578 N/A ASN 360.A N PRO 357.A O no hydrogen 3.223 N/A VAL 362.A N MET 444.A O no hydrogen 3.103 N/A LEU 365.A N GLU 308.A OE1 no hydrogen 3.193 N/A HIS 366.A N ASN 364.A OD1 no hydrogen 3.156 N/A VAL 368.A N LEU 365.A O no hydrogen 3.127 N/A ALA 373.A N VAL 370.A O no hydrogen 3.166 N/A SER 376.A OG GLU 344.A OE1 no hydrogen 3.446 N/A SER 376.A OG SER 348.A OG no hydrogen 3.179 N/A GLU 380.A N SER 376.A O no hydrogen 2.794 N/A LYS 381.A N VAL 377.A O no hydrogen 2.875 N/A LYS 381.A NZ THR 359.A O no hydrogen 2.695 N/A LYS 381.A NZ GLY 448.A O no hydrogen 3.101 N/A PHE 383.A N TYR 379.A O no hydrogen 3.004 N/A ALA 384.A N GLU 380.A O no hydrogen 2.959 N/A LEU 385.A N LYS 381.A O no hydrogen 3.199 N/A LEU 386.A N GLY 382.A O no hydrogen 3.404 N/A PHE 387.A N PHE 383.A O no hydrogen 2.799 N/A TYR 388.A N ALA 384.A O no hydrogen 2.788 N/A LEU 389.A N LEU 385.A O no hydrogen 2.914 N/A GLU 390.A N LEU 386.A O no hydrogen 3.033 N/A GLN 391.A N PHE 387.A O no hydrogen 3.311 N/A GLN 391.A NE2 LYS 455.A O no hydrogen 2.713 N/A LEU 392.A N TYR 388.A O no hydrogen 3.130 N/A LEU 393.A N LEU 389.A O no hydrogen 2.822 N/A GLY 395.A N GLU 390.A O no hydrogen 2.898 N/A PHE 399.A N GLY 395.A O no hydrogen 3.095 N/A LEU 400.A N PRO 396.A O no hydrogen 2.822 N/A LEU 403.A N PHE 399.A O no hydrogen 3.177 N/A LYS 404.A N LEU 400.A O no hydrogen 2.873 N/A SER 405.A N GLY 401.A O no hydrogen 3.134 N/A SER 405.A OG GLY 401.A O no hydrogen 2.910 N/A TYR 406.A N PHE 402.A O no hydrogen 2.865 N/A ILE 407.A N LEU 403.A O no hydrogen 3.012 N/A GLN 408.A N LYS 404.A O no hydrogen 3.149 N/A MET 409.A N SER 405.A O no hydrogen 2.775 N/A PHE 410.A N TYR 406.A O no hydrogen 3.094 N/A PHE 412.A N LEU 301.A O no hydrogen 2.817 N/A LYS 413.A N PHE 410.A O no hydrogen 3.030 N/A SER 414.A OG PRO 146.A O no hydrogen 2.699 N/A VAL 415.A N THR 303.A O no hydrogen 2.705 N/A THR 416.A N GLU 419.A OE2 no hydrogen 2.879 N/A THR 416.A OG1 GLU 419.A OE2 no hydrogen 3.074 N/A THR 417.A N ASN 309.A OD1 no hydrogen 2.864 N/A THR 417.A OG1 ASN 309.A OD1 no hydrogen 2.941 N/A GLU 419.A N THR 416.A OG1 no hydrogen 3.357 N/A TRP 420.A N THR 416.A O no hydrogen 3.127 N/A LYS 421.A N THR 417.A O no hydrogen 3.062 N/A LYS 422.A N GLU 418.A O no hydrogen 2.939 N/A LYS 422.A NZ GLU 418.A OE2 no hydrogen 2.770 N/A PHE 423.A N GLU 419.A O no hydrogen 2.901 N/A LEU 424.A N TRP 420.A O no hydrogen 2.867 N/A TYR 425.A N LYS 421.A O no hydrogen 3.092 N/A TYR 425.A OH ASP 436.A OD1 no hydrogen 3.018 N/A SER 426.A N LYS 422.A O no hydrogen 2.993 N/A TYR 427.A N PHE 423.A O no hydrogen 2.877 N/A PHE 428.A N LEU 424.A O no hydrogen 3.007 N/A LYS 431.A N PHE 428.A O no hydrogen 3.222 N/A LYS 431.A NZ LEU 393.A O no hydrogen 3.308 N/A ILE 434.A N LYS 431.A O no hydrogen 2.918 N/A LEU 435.A N LYS 431.A O no hydrogen 3.338 N/A ASP 436.A N VAL 432.A O no hydrogen 3.156 N/A LYS 437.A N ILE 434.A O no hydrogen 3.338 N/A VAL 438.A N LEU 435.A O no hydrogen 3.163 N/A TRP 440.A NE1 TYR 425.A OH no hydrogen 3.104 N/A GLY 442.A N ASP 439.A OD1 no hydrogen 2.863 N/A TRP 443.A N ASP 439.A O no hydrogen 2.942 N/A MET 444.A N TRP 440.A O no hydrogen 2.766 N/A HIS 445.A N LYS 441.A O no hydrogen 2.908 N/A THR 446.A OG1 LYS 441.A O no hydrogen 2.942 N/A GLY 448.A N THR 359.A OG1 no hydrogen 2.985 N/A LYS 455.A N GLN 391.A OE1 no hydrogen 3.019 N/A ASP 457.A N GLN 335.A OE1 no hydrogen 3.121 N/A THR 459.A OG1 ASP 457.A OD1 no hydrogen 2.838 N/A THR 459.A OG1 ASP 457.A OD2 no hydrogen 3.037 N/A ASN 462.A N MET 458.A O no hydrogen 2.945 N/A CYS 464.A N ALA 461.A O no hydrogen 2.880 N/A CYS 464.A SG LEU 460.A O no hydrogen 3.711 N/A CYS 464.A SG GLN 494.A O no hydrogen 3.347 N/A ILE 465.A N ALA 461.A O no hydrogen 3.116 N/A THR 466.A N ASN 462.A O no hydrogen 3.209 N/A THR 466.A OG1 ASN 462.A O no hydrogen 2.823 N/A THR 466.A OG1 ALA 463.A O no hydrogen 2.626 N/A LEU 467.A N ALA 463.A O no hydrogen 3.256 N/A GLY 468.A N CYS 464.A O no hydrogen 3.228 N/A GLN 469.A N ILE 465.A O no hydrogen 3.186 N/A LYS 470.A N THR 466.A O no hydrogen 2.970 N/A TRP 471.A N LEU 467.A O no hydrogen 3.025 N/A TRP 471.A NE1 TYR 520.A OH no hydrogen 2.783 N/A VAL 472.A N GLY 468.A O no hydrogen 3.078 N/A LYS 473.A N GLN 469.A O no hydrogen 2.986 N/A THR 475.A N ASP 478.A OD2 no hydrogen 3.102 N/A THR 475.A OG1 ASP 478.A OD2 no hydrogen 2.710 N/A SER 481.A N ASP 478.A O no hydrogen 2.903 N/A SER 481.A OG ASP 478.A O no hydrogen 3.381 N/A PHE 482.A N LEU 479.A O no hydrogen 3.393 N/A SER 483.A N ASP 486.A OD2 no hydrogen 3.280 N/A SER 483.A OG ASP 485.A OD2 no hydrogen 3.160 N/A ASP 486.A N SER 483.A O no hydrogen 3.330 N/A VAL 487.A N ALA 484.A O no hydrogen 3.225 N/A LYS 488.A N ALA 484.A O no hydrogen 3.026 N/A LEU 490.A N VAL 487.A O no hydrogen 2.954 N/A SER 491.A N GLN 494.A OE1 no hydrogen 2.946 N/A SER 491.A OG GLN 494.A OE1 no hydrogen 3.275 N/A GLN 494.A N SER 491.A OG no hydrogen 3.391 N/A GLN 494.A NE2 LEU 460.A O no hydrogen 2.804 N/A LEU 495.A N SER 491.A O no hydrogen 2.958 N/A ILE 496.A N SER 492.A O no hydrogen 2.931 N/A GLU 497.A N HIS 493.A O no hydrogen 3.175 N/A VAL 498.A N GLN 494.A O no hydrogen 3.182 N/A LEU 499.A N LEU 495.A O no hydrogen 3.285 N/A ALA 500.A N ILE 496.A O no hydrogen 2.923 N/A ILE 501.A N GLU 497.A O no hydrogen 3.000 N/A LEU 502.A N VAL 498.A O no hydrogen 3.127 N/A LEU 503.A N LEU 499.A O no hydrogen 2.905 N/A LEU 504.A N ALA 500.A O no hydrogen 3.098 N/A SER 511.A OG HIS 512.A ND1 no hydrogen 3.030 N/A HIS 512.A N PRO 509.A O no hydrogen 3.145 N/A HIS 512.A ND1 SER 511.A OG no hydrogen 3.030 N/A HIS 512.A NE2 ALA 474.A O no hydrogen 2.699 N/A VAL 513.A N PRO 509.A O no hydrogen 3.483 N/A LYS 514.A N VAL 510.A O no hydrogen 3.218 N/A ARG 515.A N SER 511.A O no hydrogen 3.076 N/A ARG 515.A NE LEU 479.A O no hydrogen 2.500 N/A ARG 515.A NH2 LEU 479.A O no hydrogen 3.202 N/A MET 516.A N HIS 512.A O no hydrogen 2.955 N/A GLN 517.A N VAL 513.A O no hydrogen 3.278 N/A GLU 518.A N LYS 514.A O no hydrogen 3.190 N/A VAL 519.A N ARG 515.A O no hydrogen 3.126 N/A TYR 520.A N MET 516.A O no hydrogen 2.782 N/A TYR 520.A OH ASP 486.A OD2 no hydrogen 2.770 N/A ASN 521.A N GLN 517.A O no hydrogen 3.054 N/A ASN 523.A N GLN 517.A OE1 no hydrogen 2.814 N/A VAL 525.A N LEU 522.A O no hydrogen 3.498 N/A SER 528.A OG THR 277.A O no hydrogen 2.594 N/A ILE 530.A N ASN 527.A O no hydrogen 2.991 N/A ARG 531.A N ASN 527.A O no hydrogen 2.926 N/A PHE 532.A N SER 528.A O no hydrogen 3.028 N/A ARG 533.A NH1 GLU 529.A O no hydrogen 2.950 N/A ARG 533.A NH1 GLU 529.A OE1 no hydrogen 2.648 N/A ARG 533.A NH2 GLU 344.A OE2 no hydrogen 3.553 N/A ARG 533.A NH2 GLU 529.A OE1 no hydrogen 3.532 N/A TRP 534.A N ILE 530.A O no hydrogen 2.967 N/A TRP 534.A NE1 ASN 523.A OD1 no hydrogen 2.920 N/A LEU 535.A N ARG 531.A O no hydrogen 2.882 N/A ARG 536.A N PHE 532.A O no hydrogen 3.029 N/A ARG 536.A NE ASP 569.A OD2 no hydrogen 3.180 N/A LEU 537.A N ARG 533.A O no hydrogen 3.008 N/A CYS 538.A N TRP 534.A O no hydrogen 3.246 N/A CYS 538.A SG TRP 534.A O no hydrogen 3.428 N/A ILE 539.A N LEU 535.A O no hydrogen 3.064 N/A ARG 540.A N ARG 536.A O no hydrogen 3.291 N/A ALA 541.A N LEU 537.A O no hydrogen 3.158 N/A GLY 542.A N CYS 538.A O no hydrogen 3.240 N/A GLY 542.A N ILE 539.A O no hydrogen 2.960 N/A TRP 543.A N CYS 538.A O no hydrogen 3.157 N/A ILE 547.A N GLU 544.A O no hydrogen 3.266 N/A LEU 549.A N VAL 546.A O no hydrogen 3.042 N/A ALA 550.A N VAL 546.A O no hydrogen 2.920 N/A LEU 551.A N ILE 547.A O no hydrogen 3.100 N/A ALA 552.A N PRO 548.A O no hydrogen 3.343 N/A MET 553.A N LEU 549.A O no hydrogen 3.125 N/A ALA 554.A N ALA 550.A O no hydrogen 3.034 N/A THR 555.A N LEU 551.A O no hydrogen 3.110 N/A THR 555.A N ALA 552.A O no hydrogen 3.121 N/A THR 555.A OG1 LEU 551.A O no hydrogen 2.791 N/A THR 555.A OG1 ALA 552.A O no hydrogen 3.216 N/A GLU 556.A N ALA 552.A O no hydrogen 2.790 N/A GLN 557.A NE2 MET 553.A O no hydrogen 2.764 N/A GLY 558.A N PRO 259.A O no hydrogen 2.784 N/A ARG 559.A N GLN 557.A OE1 no hydrogen 2.982 N/A ARG 559.A NH1 THR 277.A OG1 no hydrogen 3.341 N/A MET 560.A N PRO 262.A O no hydrogen 3.032 N/A LYS 561.A NZ GLU 529.A OE1 no hydrogen 3.040 N/A LYS 561.A NZ GLU 529.A OE2 no hydrogen 2.806 N/A PHE 562.A N ARG 559.A O no hydrogen 2.907 N/A THR 563.A N ARG 559.A O no hydrogen 2.810 N/A THR 563.A OG1 ALA 554.A O no hydrogen 3.480 N/A THR 563.A OG1 GLN 557.A O no hydrogen 3.083 N/A THR 563.A OG1 ARG 559.A O no hydrogen 3.419 N/A ARG 564.A N MET 560.A O no hydrogen 3.141 N/A ARG 564.A NE LEU 598.A O no hydrogen 3.626 N/A ARG 564.A NH1 ASP 602.A OD1 no hydrogen 3.043 N/A LEU 566.A N PHE 562.A O no hydrogen 3.290 N/A TYR 567.A N THR 563.A O no hydrogen 3.059 N/A ARG 568.A N ARG 564.A O no hydrogen 3.098 N/A ASP 569.A N PRO 565.A O no hydrogen 2.943 N/A LEU 570.A N LEU 566.A O no hydrogen 3.009 N/A TYR 571.A N TYR 567.A O no hydrogen 2.977 N/A TYR 571.A OH HIS 604.A ND1 no hydrogen 3.207 N/A ASN 572.A N ARG 568.A O no hydrogen 3.074 N/A PHE 573.A N LEU 570.A O no hydrogen 3.354 N/A ALA 576.A N PHE 573.A O no hydrogen 2.884 N/A ARG 577.A N PHE 573.A O no hydrogen 2.881 N/A ARG 577.A NE TYR 571.A O no hydrogen 2.793 N/A THR 580.A N ALA 576.A O no hydrogen 3.131 N/A THR 580.A OG1 ARG 577.A O no hydrogen 2.936 N/A VAL 581.A N ARG 577.A O no hydrogen 3.310 N/A ASN 582.A N GLU 578.A O no hydrogen 3.229 N/A THR 583.A N GLN 579.A O no hydrogen 2.781 N/A THR 583.A OG1 GLN 579.A O no hydrogen 2.515 N/A PHE 584.A N THR 580.A O no hydrogen 2.982 N/A LEU 585.A N VAL 581.A O no hydrogen 3.067 N/A LYS 586.A N ASN 582.A O no hydrogen 3.361 N/A ASN 587.A N PHE 584.A O no hydrogen 3.186 N/A ASN 587.A ND2 THR 583.A O no hydrogen 2.752 N/A ARG 588.A N LEU 585.A O no hydrogen 3.397 N/A ARG 588.A NE GLU 596.A OE2 no hydrogen 2.806 N/A ARG 588.A NH2 SER 606.A O no hydrogen 2.751 N/A PHE 590.A N ASN 587.A O no hydrogen 3.102 N/A VAL 594.A N HIS 592.A ND1 no hydrogen 3.057 N/A GLU 596.A N HIS 592.A O no hydrogen 2.912 N/A MET 597.A N PRO 593.A O no hydrogen 3.018 N/A LEU 598.A N VAL 594.A O no hydrogen 3.110 N/A VAL 599.A N THR 595.A O no hydrogen 2.811 N/A ALA 600.A N GLU 596.A O no hydrogen 2.821 N/A LYS 601.A N MET 597.A O no hydrogen 3.143 N/A ASP 602.A N LEU 598.A O no hydrogen 3.328 N/A LEU 603.A N VAL 599.A O no hydrogen 3.260 N/A HIS 604.A N LYS 601.A O no hydrogen 3.114 N/A HIS 604.A ND1 TYR 571.A OH no hydrogen 3.207 N/A ILE 605.A N ALA 600.A O no hydrogen 2.907 N/A SER 606.A N ALA 600.A O no hydrogen 3.251 N/A